1-cyclohexyl-3-[4-(7-methyl-4-morpholin-4-ylpyrrolo[2,3-h]quinazolin-2-yl)phenyl]urea

C28H32N6O2 — CID 68895887

IUPAC1-cyclohexyl-3-[4-(7-methyl-4-morpholin-4-ylpyrrolo[2,3-h]quinazolin-2-yl)phenyl]urea
SMILESCn1ccc2c3nc(-c4ccc(NC(=O)NC5CCCCC5)cc4)nc(N4CCOCC4)c3ccc21
InChIInChI=1S/C28H32N6O2/c1-33-14-13-22-24(33)12-11-23-25(22)31-26(32-27(23)34-15-17-36-18-16-34)19-7-9-21(10-8-19)30-28(35)29-20-5-3-2-4-6-20/h7-14,20H,2-6,15-18H2,1H3,(H2,29,30,35)
InChIKeyNSYPTEMRQHEWJH-UHFFFAOYSA-N
MW484.60 g/mol
LogP5.08
Rot. Bonds4

About 1-cyclohexyl-3-[4-(7-methyl-4-morpholin-4-ylpyrrolo[2,3-h]quinazolin-2-yl)phenyl]urea

1-cyclohexyl-3-[4-(7-methyl-4-morpholin-4-ylpyrrolo[2,3-h]quinazolin-2-yl)phenyl]urea (PubChem CID 68895887) has the molecular formula C28H32N6O2 and a molecular weight of 484.60 g/mol. Its IUPAC name is 1-cyclohexyl-3-[4-(7-methyl-4-morpholin-4-ylpyrrolo[2,3-h]quinazolin-2-yl)phenyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[4-(7-methyl-4-morpholin-4-ylpyrrolo[2,3-h]quinazolin-2-yl)phenyl]urea
PubChem CID68895887
Molecular FormulaC28H32N6O2
Molecular Weight484.60 g/mol
Exact Mass484.26
IUPAC Name1-cyclohexyl-3-[4-(7-methyl-4-morpholin-4-ylpyrrolo[2,3-h]quinazolin-2-yl)phenyl]urea
SMILESCn1ccc2c3nc(-c4ccc(NC(=O)NC5CCCCC5)cc4)nc(N4CCOCC4)c3ccc21
InChIInChI=1S/C28H32N6O2/c1-33-14-13-22-24(33)12-11-23-25(22)31-26(32-27(23)34-15-17-36-18-16-34)19-7-9-21(10-8-19)30-28(35)29-20-5-3-2-4-6-20/h7-14,20H,2-6,15-18H2,1H3,(H2,29,30,35)
InChIKeyNSYPTEMRQHEWJH-UHFFFAOYSA-N
XLogP5.08
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.60
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-cyclohexyl-3-[4-(7-methyl-4-morpholin-4-ylpyrrolo[2,3-h]quinazolin-2-yl)phenyl]urea with MolForge

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Related Compounds

1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[4-(7-methyl-4-morpholin-4-ylpyrrolo[2,3-h]quinazolin-2-yl)phenyl]urea
CID 68892328
tert-butyl 2-[4-(cyclobutylcarbamoylamino)phenyl]-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;ethane
CID 143935901
1-cyclobutyl-3-[4-(4-morpholin-4-yl-7-pyrimidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl)phenyl]urea
CID 59239364
1-cyclopropyl-3-[4-(4-morpholin-4-yl-1-piperidin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl)phenyl]urea
CID 68865995
1-cyclopropyl-3-[4-(4-morpholin-4-yl-7-pyrimidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl)phenyl]urea
CID 59239107
2-[4-(cyclopropylcarbamoylamino)phenyl]-N-(1-methylpiperidin-4-yl)-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 143633351
1-cyclopropyl-3-[4-[4-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]-6-morpholin-4-ylpyrimidin-2-yl]phenyl]urea
CID 143633036
cyclopropanamine;1-cyclopropyl-3-[4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)phenyl]urea;methane;4-(4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)aniline
CID 158655458
4-[[4-[8-(6-fluoro-3-pyridinyl)-4-morpholin-4-ylquinazolin-2-yl]phenyl]carbamoylamino]-N,N-dimethylbenzamide
CID 57335029
1-[4-[7-[2-(dimethylamino)ethyl]-4-morpholin-4-ylpyrrolo[2,3-d]pyrimidin-2-yl]phenyl]-3-pyridin-4-ylurea
CID 44600955
N-[4-[[4-[4-morpholin-4-yl-7-(1,3,5-trimethylpyrazol-4-yl)quinazolin-2-yl]phenyl]carbamoylamino]phenyl]acetamide
CID 67517625
N-[4-[[4-(4-morpholin-4-yl-7-pyridazin-4-ylquinazolin-2-yl)phenyl]carbamoylamino]phenyl]acetamide
CID 67515024

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[4-(7-methyl-4-morpholin-4-ylpyrrolo[2,3-h]quinazolin-2-yl)phenyl]urea?
The IUPAC name of 1-cyclohexyl-3-[4-(7-methyl-4-morpholin-4-ylpyrrolo[2,3-h]quinazolin-2-yl)phenyl]urea (CID 68895887) is 1-cyclohexyl-3-[4-(7-methyl-4-morpholin-4-ylpyrrolo[2,3-h]quinazolin-2-yl)phenyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[4-(7-methyl-4-morpholin-4-ylpyrrolo[2,3-h]quinazolin-2-yl)phenyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[4-(7-methyl-4-morpholin-4-ylpyrrolo[2,3-h]quinazolin-2-yl)phenyl]urea is Cn1ccc2c3nc(-c4ccc(NC(=O)NC5CCCCC5)cc4)nc(N4CCOCC4)c3ccc21.
What is the InChIKey of 1-cyclohexyl-3-[4-(7-methyl-4-morpholin-4-ylpyrrolo[2,3-h]quinazolin-2-yl)phenyl]urea?
The InChIKey is NSYPTEMRQHEWJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N6O2/c1-33-14-13-22-24(33)12-11-23-25(22)31-26(32-27(23)34-15-17-36-18-16-34)19-7-9-21(10-8-19)30-28(35)29-20-5-3-2-4-6-20/h7-14,20H,2-6,15-18H2,1H3,(H2,29,30,35).
What are the key properties of 1-cyclohexyl-3-[4-(7-methyl-4-morpholin-4-ylpyrrolo[2,3-h]quinazolin-2-yl)phenyl]urea?
1-cyclohexyl-3-[4-(7-methyl-4-morpholin-4-ylpyrrolo[2,3-h]quinazolin-2-yl)phenyl]urea has a molecular weight of 484.60 g/mol, XLogP of 5.08, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[4-(7-methyl-4-morpholin-4-ylpyrrolo[2,3-h]quinazolin-2-yl)phenyl]urea is sourced from PubChem (CID 68895887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).