1-(6-bromoquinolin-4-yl)-3-pyrazin-2-ylurea;1-methyl-1-pyrazin-2-yl-3-[6-(trifluoromethyl)quinolin-4-yl]urea;1-pyrazin-2-yl-3-[2-(trifluoromethyl)quinolin-4-yl]urea

C45H32BrF6N15O3 — CID 161193487

IUPAC1-(6-bromoquinolin-4-yl)-3-pyrazin-2-ylurea;1-methyl-1-pyrazin-2-yl-3-[6-(trifluoromethyl)quinolin-4-yl]urea;1-pyrazin-2-yl-3-[2-(trifluoromethyl)quinolin-4-yl]urea
SMILESCN(C(=O)Nc1ccnc2ccc(C(F)(F)F)cc12)c1cnccn1.O=C(Nc1cnccn1)Nc1cc(C(F)(F)F)nc2ccccc12.O=C(Nc1cnccn1)Nc1ccnc2ccc(Br)cc12
InChIInChI=1S/C16H12F3N5O.C15H10F3N5O.C14H10BrN5O/c1-24(14-9-20-6-7-22-14)15(25)23-13-4-5-21-12-3-2-10(8-11(12)13)16(17,18)19;16-15(17,18)12-7-11(9-3-1-2-4-10(9)21-12)22-14(24)23-13-8-19-5-6-20-13;15-9-1-2-11-10(7-9)12(3-4-17-11)19-14(21)20-13-8-16-5-6-18-13/h2-9H,1H3,(H,21,23,25);1-8H,(H2,20,21,22,23,24);1-8H,(H2,17,18,19,20,21)
InChIKeyUUANJGCGFXSELU-UHFFFAOYSA-N
MW1024.74 g/mol
LogP10.83
Rot. Bonds6

About 1-(6-bromoquinolin-4-yl)-3-pyrazin-2-ylurea;1-methyl-1-pyrazin-2-yl-3-[6-(trifluoromethyl)quinolin-4-yl]urea;1-pyrazin-2-yl-3-[2-(trifluoromethyl)quinolin-4-yl]urea

1-(6-bromoquinolin-4-yl)-3-pyrazin-2-ylurea;1-methyl-1-pyrazin-2-yl-3-[6-(trifluoromethyl)quinolin-4-yl]urea;1-pyrazin-2-yl-3-[2-(trifluoromethyl)quinolin-4-yl]urea (PubChem CID 161193487) has the molecular formula C45H32BrF6N15O3 and a molecular weight of 1024.74 g/mol. Its IUPAC name is 1-(6-bromoquinolin-4-yl)-3-pyrazin-2-ylurea;1-methyl-1-pyrazin-2-yl-3-[6-(trifluoromethyl)quinolin-4-yl]urea;1-pyrazin-2-yl-3-[2-(trifluoromethyl)quinolin-4-yl]urea.

Molecular Properties

Compound Name1-(6-bromoquinolin-4-yl)-3-pyrazin-2-ylurea;1-methyl-1-pyrazin-2-yl-3-[6-(trifluoromethyl)quinolin-4-yl]urea;1-pyrazin-2-yl-3-[2-(trifluoromethyl)quinolin-4-yl]urea
PubChem CID161193487
Molecular FormulaC45H32BrF6N15O3
Molecular Weight1024.74 g/mol
Exact Mass1023.19
IUPAC Name1-(6-bromoquinolin-4-yl)-3-pyrazin-2-ylurea;1-methyl-1-pyrazin-2-yl-3-[6-(trifluoromethyl)quinolin-4-yl]urea;1-pyrazin-2-yl-3-[2-(trifluoromethyl)quinolin-4-yl]urea
SMILESCN(C(=O)Nc1ccnc2ccc(C(F)(F)F)cc12)c1cnccn1.O=C(Nc1cnccn1)Nc1cc(C(F)(F)F)nc2ccccc12.O=C(Nc1cnccn1)Nc1ccnc2ccc(Br)cc12
InChIInChI=1S/C16H12F3N5O.C15H10F3N5O.C14H10BrN5O/c1-24(14-9-20-6-7-22-14)15(25)23-13-4-5-21-12-3-2-10(8-11(12)13)16(17,18)19;16-15(17,18)12-7-11(9-3-1-2-4-10(9)21-12)22-14(24)23-13-8-19-5-6-20-13;15-9-1-2-11-10(7-9)12(3-4-17-11)19-14(21)20-13-8-16-5-6-18-13/h2-9H,1H3,(H,21,23,25);1-8H,(H2,20,21,22,23,24);1-8H,(H2,17,18,19,20,21)
InChIKeyUUANJGCGFXSELU-UHFFFAOYSA-N
XLogP10.83
TPSA230.61 Ų
H-Bond Donors5
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms70
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001024.74
LogP ≤ 510.83
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1012

Analyze 1-(6-bromoquinolin-4-yl)-3-pyrazin-2-ylurea;1-methyl-1-pyrazin-2-yl-3-[6-(trifluoromethyl)quinolin-4-yl]urea;1-pyrazin-2-yl-3-[2-(trifluoromethyl)quinolin-4-yl]urea with MolForge

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Related Compounds

1-Methyl-1-pyrazin-2-yl-3-(6-trifluoromethyl-quinolin-4-yl)-urea
CID 24859016
1-(6-Bromo-quinolin-4-yl)-3-(6-trifluoromethyl-pyridin-2-yl)-urea
CID 57519920
N-(5-bromo-2-(piperidin-1-yl)pyridin-3-yl)-5,7-difluoro-3-methyl-2-(pyridin-2-yl)quinolin-4-amine
CID 59631584
3-bromo-1,5-naphthyridine;5-methyl-6-(1,5-naphthyridin-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 69643597
9-(6-aminopyridin-3-yl)-3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one
CID 71572352
3-methyl-9-[6-(4-methylpiperazin-1-yl)pyridin-3-yl]-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one
CID 71572931
6-quinolin-8-yl-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;4-quinolin-8-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine
CID 87963794
4-[7-fluoro-6-methyl-3-[(1S)-1-(pyrido[3,2-d]pyrimidin-4-ylamino)ethyl]quinolin-2-yl]piperazine-1-carboxamide
CID 90300929
N-(5-bromo-2-morpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methyl-6-propyl-2-pyridin-2-ylquinolin-4-amine
CID 90755379
[4-[6-[2-[3-[4-[(5-Bromo-2-morpholin-4-yl-4-pyridinyl)amino]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-6-yl]-2-methylpropyl]morpholin-4-yl]-4-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-3-pyridinyl]phenyl]urea
CID 123600848
6-[3-[4-[5-(5-amino-3-pyridinyl)-4-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-2-pyridinyl]morpholin-2-yl]propyl]-N-(5-bromo-2-morpholin-4-yl-4-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine
CID 123671592
[4-[6-[2-[(1S)-2-[[4-[(5-bromo-2-morpholin-4-yl-4-pyridinyl)amino]-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-6-yl]methyl]cyclopropyl]morpholin-4-yl]-4-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-3-pyridinyl]phenyl]urea
CID 144307088

Frequently Asked Questions

What is the IUPAC name of 1-(6-bromoquinolin-4-yl)-3-pyrazin-2-ylurea;1-methyl-1-pyrazin-2-yl-3-[6-(trifluoromethyl)quinolin-4-yl]urea;1-pyrazin-2-yl-3-[2-(trifluoromethyl)quinolin-4-yl]urea?
The IUPAC name of 1-(6-bromoquinolin-4-yl)-3-pyrazin-2-ylurea;1-methyl-1-pyrazin-2-yl-3-[6-(trifluoromethyl)quinolin-4-yl]urea;1-pyrazin-2-yl-3-[2-(trifluoromethyl)quinolin-4-yl]urea (CID 161193487) is 1-(6-bromoquinolin-4-yl)-3-pyrazin-2-ylurea;1-methyl-1-pyrazin-2-yl-3-[6-(trifluoromethyl)quinolin-4-yl]urea;1-pyrazin-2-yl-3-[2-(trifluoromethyl)quinolin-4-yl]urea.
What is the SMILES notation for 1-(6-bromoquinolin-4-yl)-3-pyrazin-2-ylurea;1-methyl-1-pyrazin-2-yl-3-[6-(trifluoromethyl)quinolin-4-yl]urea;1-pyrazin-2-yl-3-[2-(trifluoromethyl)quinolin-4-yl]urea?
The canonical SMILES for 1-(6-bromoquinolin-4-yl)-3-pyrazin-2-ylurea;1-methyl-1-pyrazin-2-yl-3-[6-(trifluoromethyl)quinolin-4-yl]urea;1-pyrazin-2-yl-3-[2-(trifluoromethyl)quinolin-4-yl]urea is CN(C(=O)Nc1ccnc2ccc(C(F)(F)F)cc12)c1cnccn1.O=C(Nc1cnccn1)Nc1cc(C(F)(F)F)nc2ccccc12.O=C(Nc1cnccn1)Nc1ccnc2ccc(Br)cc12.
What is the InChIKey of 1-(6-bromoquinolin-4-yl)-3-pyrazin-2-ylurea;1-methyl-1-pyrazin-2-yl-3-[6-(trifluoromethyl)quinolin-4-yl]urea;1-pyrazin-2-yl-3-[2-(trifluoromethyl)quinolin-4-yl]urea?
The InChIKey is UUANJGCGFXSELU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N5O.C15H10F3N5O.C14H10BrN5O/c1-24(14-9-20-6-7-22-14)15(25)23-13-4-5-21-12-3-2-10(8-11(12)13)16(17,18)19;16-15(17,18)12-7-11(9-3-1-2-4-10(9)21-12)22-14(24)23-13-8-19-5-6-20-13;15-9-1-2-11-10(7-9)12(3-4-17-11)19-14(21)20-13-8-16-5-6-18-13/h2-9H,1H3,(H,21,23,25);1-8H,(H2,20,21,22,23,24);1-8H,(H2,17,18,19,20,21).
What are the key properties of 1-(6-bromoquinolin-4-yl)-3-pyrazin-2-ylurea;1-methyl-1-pyrazin-2-yl-3-[6-(trifluoromethyl)quinolin-4-yl]urea;1-pyrazin-2-yl-3-[2-(trifluoromethyl)quinolin-4-yl]urea?
1-(6-bromoquinolin-4-yl)-3-pyrazin-2-ylurea;1-methyl-1-pyrazin-2-yl-3-[6-(trifluoromethyl)quinolin-4-yl]urea;1-pyrazin-2-yl-3-[2-(trifluoromethyl)quinolin-4-yl]urea has a molecular weight of 1024.74 g/mol, XLogP of 10.83, 6 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromoquinolin-4-yl)-3-pyrazin-2-ylurea;1-methyl-1-pyrazin-2-yl-3-[6-(trifluoromethyl)quinolin-4-yl]urea;1-pyrazin-2-yl-3-[2-(trifluoromethyl)quinolin-4-yl]urea is sourced from PubChem (CID 161193487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).