1-[1-(6,7-dimethoxyquinazolin-4-yl)pyrrolidin-3-yl]-3-(4-propan-2-ylphenyl)urea

C24H29N5O3 — CID 58770603

IUPAC1-[1-(6,7-dimethoxyquinazolin-4-yl)pyrrolidin-3-yl]-3-(4-propan-2-ylphenyl)urea
SMILESCOc1cc2ncnc(N3CCC(NC(=O)Nc4ccc(C(C)C)cc4)C3)c2cc1OC
InChIInChI=1S/C24H29N5O3/c1-15(2)16-5-7-17(8-6-16)27-24(30)28-18-9-10-29(13-18)23-19-11-21(31-3)22(32-4)12-20(19)25-14-26-23/h5-8,11-12,14-15,18H,9-10,13H2,1-4H3,(H2,27,28,30)
InChIKeyTZHWVFRWHYCRQK-UHFFFAOYSA-N
MW435.53 g/mol
LogP4.17
Rot. Bonds6

About 1-[1-(6,7-dimethoxyquinazolin-4-yl)pyrrolidin-3-yl]-3-(4-propan-2-ylphenyl)urea

1-[1-(6,7-dimethoxyquinazolin-4-yl)pyrrolidin-3-yl]-3-(4-propan-2-ylphenyl)urea (PubChem CID 58770603) has the molecular formula C24H29N5O3 and a molecular weight of 435.53 g/mol. Its IUPAC name is 1-[1-(6,7-dimethoxyquinazolin-4-yl)pyrrolidin-3-yl]-3-(4-propan-2-ylphenyl)urea.

Molecular Properties

Compound Name1-[1-(6,7-dimethoxyquinazolin-4-yl)pyrrolidin-3-yl]-3-(4-propan-2-ylphenyl)urea
PubChem CID58770603
Molecular FormulaC24H29N5O3
Molecular Weight435.53 g/mol
Exact Mass435.23
IUPAC Name1-[1-(6,7-dimethoxyquinazolin-4-yl)pyrrolidin-3-yl]-3-(4-propan-2-ylphenyl)urea
SMILESCOc1cc2ncnc(N3CCC(NC(=O)Nc4ccc(C(C)C)cc4)C3)c2cc1OC
InChIInChI=1S/C24H29N5O3/c1-15(2)16-5-7-17(8-6-16)27-24(30)28-18-9-10-29(13-18)23-19-11-21(31-3)22(32-4)12-20(19)25-14-26-23/h5-8,11-12,14-15,18H,9-10,13H2,1-4H3,(H2,27,28,30)
InChIKeyTZHWVFRWHYCRQK-UHFFFAOYSA-N
XLogP4.17
TPSA88.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-(6,7-dimethoxyquinazolin-4-yl)pyrrolidin-3-yl]-3-(4-phenoxyphenyl)urea;ethane
CID 143371154
2-[1-(6,7-dimethoxyquinazolin-4-yl)pyrrolidin-3-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 58770598
1-[1-[7-(2-methoxyethoxy)quinolin-4-yl]pyrrolidin-3-yl]-3-(4-propan-2-ylphenyl)urea
CID 58770607
N-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-3-yl]-2,2-dimethylpropanamide
CID 163357922
(2S)-2-amino-N-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]-3-methylbutanamide;dihydrochloride
CID 18607961
1-(6,7-dimethoxyquinazolin-4-yl)-N-(4-propan-2-yloxyphenyl)piperidine-4-carboxamide
CID 58770571
N-(4-aminophenyl)-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide
CID 22707383
1-(6,7-dimethoxyquinazolin-4-yl)pyrrolidin-3-ol
CID 21487876
N-cyclopropyl-1-(6,7-dimethoxyquinazolin-4-yl)piperidine-3-carboxamide
CID 165435283
N-[1-(6,7-dimethoxyquinazolin-4-yl)pyrrolidin-3-yl]-6-methylpyrimidin-4-amine
CID 171997600
1-[(3S)-1-benzylpyrrolidin-3-yl]-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]urea
CID 58738951
2-cyclopropyl-N-[1-(6,7-dimethoxyquinazolin-4-yl)pyrrolidin-3-yl]pyrimidin-4-amine
CID 172904041

Frequently Asked Questions

What is the IUPAC name of 1-[1-(6,7-dimethoxyquinazolin-4-yl)pyrrolidin-3-yl]-3-(4-propan-2-ylphenyl)urea?
The IUPAC name of 1-[1-(6,7-dimethoxyquinazolin-4-yl)pyrrolidin-3-yl]-3-(4-propan-2-ylphenyl)urea (CID 58770603) is 1-[1-(6,7-dimethoxyquinazolin-4-yl)pyrrolidin-3-yl]-3-(4-propan-2-ylphenyl)urea.
What is the SMILES notation for 1-[1-(6,7-dimethoxyquinazolin-4-yl)pyrrolidin-3-yl]-3-(4-propan-2-ylphenyl)urea?
The canonical SMILES for 1-[1-(6,7-dimethoxyquinazolin-4-yl)pyrrolidin-3-yl]-3-(4-propan-2-ylphenyl)urea is COc1cc2ncnc(N3CCC(NC(=O)Nc4ccc(C(C)C)cc4)C3)c2cc1OC.
What is the InChIKey of 1-[1-(6,7-dimethoxyquinazolin-4-yl)pyrrolidin-3-yl]-3-(4-propan-2-ylphenyl)urea?
The InChIKey is TZHWVFRWHYCRQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O3/c1-15(2)16-5-7-17(8-6-16)27-24(30)28-18-9-10-29(13-18)23-19-11-21(31-3)22(32-4)12-20(19)25-14-26-23/h5-8,11-12,14-15,18H,9-10,13H2,1-4H3,(H2,27,28,30).
What are the key properties of 1-[1-(6,7-dimethoxyquinazolin-4-yl)pyrrolidin-3-yl]-3-(4-propan-2-ylphenyl)urea?
1-[1-(6,7-dimethoxyquinazolin-4-yl)pyrrolidin-3-yl]-3-(4-propan-2-ylphenyl)urea has a molecular weight of 435.53 g/mol, XLogP of 4.17, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(6,7-dimethoxyquinazolin-4-yl)pyrrolidin-3-yl]-3-(4-propan-2-ylphenyl)urea is sourced from PubChem (CID 58770603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).