1-propan-2-yl-3-[7-(1-pyridin-3-ylethylamino)quinazolin-2-yl]urea

C19H22N6O — CID 156770187

IUPAC1-propan-2-yl-3-[7-(1-pyridin-3-ylethylamino)quinazolin-2-yl]urea
SMILESCC(C)NC(=O)Nc1ncc2ccc(NC(C)c3cccnc3)cc2n1
InChIInChI=1S/C19H22N6O/c1-12(2)22-19(26)25-18-21-11-15-6-7-16(9-17(15)24-18)23-13(3)14-5-4-8-20-10-14/h4-13,23H,1-3H3,(H2,21,22,24,25,26)
InChIKeyFBRRIEUMXVSCHV-UHFFFAOYSA-N
MW350.43 g/mol
LogP3.73
Rot. Bonds5

About 1-propan-2-yl-3-[7-(1-pyridin-3-ylethylamino)quinazolin-2-yl]urea

1-propan-2-yl-3-[7-(1-pyridin-3-ylethylamino)quinazolin-2-yl]urea (PubChem CID 156770187) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is 1-propan-2-yl-3-[7-(1-pyridin-3-ylethylamino)quinazolin-2-yl]urea.

Molecular Properties

Compound Name1-propan-2-yl-3-[7-(1-pyridin-3-ylethylamino)quinazolin-2-yl]urea
PubChem CID156770187
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC Name1-propan-2-yl-3-[7-(1-pyridin-3-ylethylamino)quinazolin-2-yl]urea
SMILESCC(C)NC(=O)Nc1ncc2ccc(NC(C)c3cccnc3)cc2n1
InChIInChI=1S/C19H22N6O/c1-12(2)22-19(26)25-18-21-11-15-6-7-16(9-17(15)24-18)23-13(3)14-5-4-8-20-10-14/h4-13,23H,1-3H3,(H2,21,22,24,25,26)
InChIKeyFBRRIEUMXVSCHV-UHFFFAOYSA-N
XLogP3.73
TPSA91.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 53.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclopentyl-3-[7-(1-pyridin-3-ylethylamino)quinazolin-2-yl]thiourea
CID 156770181
3-(1-pyridin-3-ylethylamino)benzamide
CID 43202862
1-[5-fluoro-7-(1-pyridin-3-ylethylamino)quinazolin-2-yl]-3-(oxan-4-ylmethyl)urea
CID 156770167
1-(4-methylphenyl)-3-[(1R)-1-pyridin-3-ylethyl]urea
CID 41430623
1-pyridin-3-yl-3-[7-(pyridin-3-ylmethylamino)quinazolin-2-yl]urea
CID 156770236
2-propan-2-yl-N-(1-pyridin-3-ylethyl)-1,3-benzoxazol-5-amine
CID 43745111
N-methyl-4-(1-pyridin-3-ylethylamino)benzamide
CID 43683661
2-N-(1-pyridin-3-ylethyl)pyrimidine-2,5-diamine
CID 61146602
1-methyl-3-(1-pyridin-3-ylethyl)urea
CID 115576611
[4-[1-[[(1R)-1-pyridin-3-ylethyl]amino]ethyl]phenyl]urea
CID 81392080
3-(1-pyridin-3-ylethylamino)benzenesulfonamide
CID 43193566
2-fluoro-4-(1-pyridin-3-ylethylamino)benzenecarbothioamide
CID 115367935

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-3-[7-(1-pyridin-3-ylethylamino)quinazolin-2-yl]urea?
The IUPAC name of 1-propan-2-yl-3-[7-(1-pyridin-3-ylethylamino)quinazolin-2-yl]urea (CID 156770187) is 1-propan-2-yl-3-[7-(1-pyridin-3-ylethylamino)quinazolin-2-yl]urea.
What is the SMILES notation for 1-propan-2-yl-3-[7-(1-pyridin-3-ylethylamino)quinazolin-2-yl]urea?
The canonical SMILES for 1-propan-2-yl-3-[7-(1-pyridin-3-ylethylamino)quinazolin-2-yl]urea is CC(C)NC(=O)Nc1ncc2ccc(NC(C)c3cccnc3)cc2n1.
What is the InChIKey of 1-propan-2-yl-3-[7-(1-pyridin-3-ylethylamino)quinazolin-2-yl]urea?
The InChIKey is FBRRIEUMXVSCHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O/c1-12(2)22-19(26)25-18-21-11-15-6-7-16(9-17(15)24-18)23-13(3)14-5-4-8-20-10-14/h4-13,23H,1-3H3,(H2,21,22,24,25,26).
What are the key properties of 1-propan-2-yl-3-[7-(1-pyridin-3-ylethylamino)quinazolin-2-yl]urea?
1-propan-2-yl-3-[7-(1-pyridin-3-ylethylamino)quinazolin-2-yl]urea has a molecular weight of 350.43 g/mol, XLogP of 3.73, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-3-[7-(1-pyridin-3-ylethylamino)quinazolin-2-yl]urea is sourced from PubChem (CID 156770187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).