1-[5-fluoro-7-(1-pyridin-3-ylethylamino)quinazolin-2-yl]-3-(oxan-4-ylmethyl)urea

C22H25FN6O2 — CID 156770167

IUPAC1-[5-fluoro-7-(1-pyridin-3-ylethylamino)quinazolin-2-yl]-3-(oxan-4-ylmethyl)urea
SMILESCC(Nc1cc(F)c2cnc(NC(=O)NCC3CCOCC3)nc2c1)c1cccnc1
InChIInChI=1S/C22H25FN6O2/c1-14(16-3-2-6-24-12-16)27-17-9-19(23)18-13-25-21(28-20(18)10-17)29-22(30)26-11-15-4-7-31-8-5-15/h2-3,6,9-10,12-15,27H,4-5,7-8,11H2,1H3,(H2,25,26,28,29,30)
InChIKeyAGEALXNSUKNESU-UHFFFAOYSA-N
MW424.48 g/mol
LogP3.89
Rot. Bonds6

About 1-[5-fluoro-7-(1-pyridin-3-ylethylamino)quinazolin-2-yl]-3-(oxan-4-ylmethyl)urea

1-[5-fluoro-7-(1-pyridin-3-ylethylamino)quinazolin-2-yl]-3-(oxan-4-ylmethyl)urea (PubChem CID 156770167) has the molecular formula C22H25FN6O2 and a molecular weight of 424.48 g/mol. Its IUPAC name is 1-[5-fluoro-7-(1-pyridin-3-ylethylamino)quinazolin-2-yl]-3-(oxan-4-ylmethyl)urea.

Molecular Properties

Compound Name1-[5-fluoro-7-(1-pyridin-3-ylethylamino)quinazolin-2-yl]-3-(oxan-4-ylmethyl)urea
PubChem CID156770167
Molecular FormulaC22H25FN6O2
Molecular Weight424.48 g/mol
Exact Mass424.20
IUPAC Name1-[5-fluoro-7-(1-pyridin-3-ylethylamino)quinazolin-2-yl]-3-(oxan-4-ylmethyl)urea
SMILESCC(Nc1cc(F)c2cnc(NC(=O)NCC3CCOCC3)nc2c1)c1cccnc1
InChIInChI=1S/C22H25FN6O2/c1-14(16-3-2-6-24-12-16)27-17-9-19(23)18-13-25-21(28-20(18)10-17)29-22(30)26-11-15-4-7-31-8-5-15/h2-3,6,9-10,12-15,27H,4-5,7-8,11H2,1H3,(H2,25,26,28,29,30)
InChIKeyAGEALXNSUKNESU-UHFFFAOYSA-N
XLogP3.89
TPSA101.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.48
LogP ≤ 53.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-[5-fluoro-7-(1-pyridin-3-ylethylamino)quinazolin-2-yl]-3-(oxan-4-ylmethyl)urea with MolForge

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Launch Full Analysis

Related Compounds

1-propan-2-yl-3-[7-(1-pyridin-3-ylethylamino)quinazolin-2-yl]urea
CID 156770187
3,4,5-trifluoro-N-(1-pyridin-3-ylethyl)aniline
CID 62810175
1-cyclopentyl-3-[7-(1-pyridin-3-ylethylamino)quinazolin-2-yl]thiourea
CID 156770181
1-(oxan-4-ylmethyl)-3-[2-[(1R)-1-phenylethyl]pyrazol-3-yl]urea
CID 97275907
1-(cyclopentylmethyl)-3-pyridin-3-ylurea
CID 47166711
1-[[(3S)-1,1-dioxothiolan-3-yl]methyl]-3-[(1S)-1-pyridin-3-ylethyl]urea
CID 94163988
3-fluoro-4-methoxy-N-(1-pyridin-3-ylethyl)aniline
CID 43380580
2-(cyclopropylmethylamino)-N-[(1S)-1-pyridin-3-ylethyl]acetamide
CID 81404899
1-(2,4-difluorophenyl)-3-(oxan-4-ylmethyl)urea
CID 108912997
2-fluoro-4-(1-pyridin-3-ylethylamino)benzenecarbothioamide
CID 115367935
2-N-(1-pyridin-3-ylethyl)pyrimidine-2,5-diamine
CID 61146602
1-[3-(1-hydroxyethyl)phenyl]-3-(oxolan-3-ylmethyl)urea
CID 62824753

Frequently Asked Questions

What is the IUPAC name of 1-[5-fluoro-7-(1-pyridin-3-ylethylamino)quinazolin-2-yl]-3-(oxan-4-ylmethyl)urea?
The IUPAC name of 1-[5-fluoro-7-(1-pyridin-3-ylethylamino)quinazolin-2-yl]-3-(oxan-4-ylmethyl)urea (CID 156770167) is 1-[5-fluoro-7-(1-pyridin-3-ylethylamino)quinazolin-2-yl]-3-(oxan-4-ylmethyl)urea.
What is the SMILES notation for 1-[5-fluoro-7-(1-pyridin-3-ylethylamino)quinazolin-2-yl]-3-(oxan-4-ylmethyl)urea?
The canonical SMILES for 1-[5-fluoro-7-(1-pyridin-3-ylethylamino)quinazolin-2-yl]-3-(oxan-4-ylmethyl)urea is CC(Nc1cc(F)c2cnc(NC(=O)NCC3CCOCC3)nc2c1)c1cccnc1.
What is the InChIKey of 1-[5-fluoro-7-(1-pyridin-3-ylethylamino)quinazolin-2-yl]-3-(oxan-4-ylmethyl)urea?
The InChIKey is AGEALXNSUKNESU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN6O2/c1-14(16-3-2-6-24-12-16)27-17-9-19(23)18-13-25-21(28-20(18)10-17)29-22(30)26-11-15-4-7-31-8-5-15/h2-3,6,9-10,12-15,27H,4-5,7-8,11H2,1H3,(H2,25,26,28,29,30).
What are the key properties of 1-[5-fluoro-7-(1-pyridin-3-ylethylamino)quinazolin-2-yl]-3-(oxan-4-ylmethyl)urea?
1-[5-fluoro-7-(1-pyridin-3-ylethylamino)quinazolin-2-yl]-3-(oxan-4-ylmethyl)urea has a molecular weight of 424.48 g/mol, XLogP of 3.89, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-fluoro-7-(1-pyridin-3-ylethylamino)quinazolin-2-yl]-3-(oxan-4-ylmethyl)urea is sourced from PubChem (CID 156770167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).