1-[3-[6,7-dimethoxy-2-(methylamino)quinazolin-4-yl]phenyl]-3-phenylurea

C24H23N5O3 — CID 22663120

IUPAC1-[3-[6,7-dimethoxy-2-(methylamino)quinazolin-4-yl]phenyl]-3-phenylurea
SMILESCNc1nc(-c2cccc(NC(=O)Nc3ccccc3)c2)c2cc(OC)c(OC)cc2n1
InChIInChI=1S/C24H23N5O3/c1-25-23-28-19-14-21(32-3)20(31-2)13-18(19)22(29-23)15-8-7-11-17(12-15)27-24(30)26-16-9-5-4-6-10-16/h4-14H,1-3H3,(H,25,28,29)(H2,26,27,30)
InChIKeyGRJOYOLBRHAVNJ-UHFFFAOYSA-N
MW429.48 g/mol
LogP5.00
Rot. Bonds6

About 1-[3-[6,7-dimethoxy-2-(methylamino)quinazolin-4-yl]phenyl]-3-phenylurea

1-[3-[6,7-dimethoxy-2-(methylamino)quinazolin-4-yl]phenyl]-3-phenylurea (PubChem CID 22663120) has the molecular formula C24H23N5O3 and a molecular weight of 429.48 g/mol. Its IUPAC name is 1-[3-[6,7-dimethoxy-2-(methylamino)quinazolin-4-yl]phenyl]-3-phenylurea.

Molecular Properties

Compound Name1-[3-[6,7-dimethoxy-2-(methylamino)quinazolin-4-yl]phenyl]-3-phenylurea
PubChem CID22663120
Molecular FormulaC24H23N5O3
Molecular Weight429.48 g/mol
Exact Mass429.18
IUPAC Name1-[3-[6,7-dimethoxy-2-(methylamino)quinazolin-4-yl]phenyl]-3-phenylurea
SMILESCNc1nc(-c2cccc(NC(=O)Nc3ccccc3)c2)c2cc(OC)c(OC)cc2n1
InChIInChI=1S/C24H23N5O3/c1-25-23-28-19-14-21(32-3)20(31-2)13-18(19)22(29-23)15-8-7-11-17(12-15)27-24(30)26-16-9-5-4-6-10-16/h4-14H,1-3H3,(H,25,28,29)(H2,26,27,30)
InChIKeyGRJOYOLBRHAVNJ-UHFFFAOYSA-N
XLogP5.00
TPSA97.40 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 55.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-N-[3-[6,7-dimethoxy-2-(methylamino)quinazolin-4-yl]phenyl]-4-N,4-N-dimethylbenzene-1,4-dicarboxamide
CID 66646483
3-N-[3-[6,7-dimethoxy-2-(methylamino)quinazolin-4-yl]phenyl]-1-N-ethylbenzene-1,3-dicarboxamide
CID 66646442
ethyl 4-[[3-[6,7-dimethoxy-2-(methylamino)quinazolin-4-yl]phenyl]carbamoyl]benzoate
CID 24758429
acetic acid;2-[3-[6,7-dimethoxy-2-(methylamino)quinazolin-4-yl]phenyl]-1-phenylethanone
CID 123882053
4-(3-aminophenyl)-6,7-dimethoxy-N-methylquinazolin-2-amine
CID 15540531
4-[[3-[6-(hydroxymethyl)-7-methoxy-2-(methylamino)quinazolin-4-yl]phenyl]carbamoyl]benzoic acid;hydrochloride
CID 162161299
methyl 3-[[3-[6-(hydroxymethyl)-7-methoxy-2-(methylamino)quinazolin-4-yl]phenyl]carbamoyl]benzoate
CID 59030756
1-(4-methoxyquinolin-2-yl)-3-phenylurea
CID 134098367
3-[[3-[6,7-dimethoxy-2-(methylamino)quinazolin-4-yl]-2-ethylphenyl]carbamoyl]benzoic acid
CID 141261290
N-cyclopropyl-6,7-dimethoxy-4-(3-nitrosophenyl)quinazolin-2-amine
CID 149469877
[3-[2-[3-(carboxyamino)phenyl]-5,6-dimethoxy-3-pyridinyl]phenyl]carbamic acid
CID 118306661
1-[3-[2-(2-methoxyanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]-3-phenylurea
CID 53234900

Frequently Asked Questions

What is the IUPAC name of 1-[3-[6,7-dimethoxy-2-(methylamino)quinazolin-4-yl]phenyl]-3-phenylurea?
The IUPAC name of 1-[3-[6,7-dimethoxy-2-(methylamino)quinazolin-4-yl]phenyl]-3-phenylurea (CID 22663120) is 1-[3-[6,7-dimethoxy-2-(methylamino)quinazolin-4-yl]phenyl]-3-phenylurea.
What is the SMILES notation for 1-[3-[6,7-dimethoxy-2-(methylamino)quinazolin-4-yl]phenyl]-3-phenylurea?
The canonical SMILES for 1-[3-[6,7-dimethoxy-2-(methylamino)quinazolin-4-yl]phenyl]-3-phenylurea is CNc1nc(-c2cccc(NC(=O)Nc3ccccc3)c2)c2cc(OC)c(OC)cc2n1.
What is the InChIKey of 1-[3-[6,7-dimethoxy-2-(methylamino)quinazolin-4-yl]phenyl]-3-phenylurea?
The InChIKey is GRJOYOLBRHAVNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O3/c1-25-23-28-19-14-21(32-3)20(31-2)13-18(19)22(29-23)15-8-7-11-17(12-15)27-24(30)26-16-9-5-4-6-10-16/h4-14H,1-3H3,(H,25,28,29)(H2,26,27,30).
What are the key properties of 1-[3-[6,7-dimethoxy-2-(methylamino)quinazolin-4-yl]phenyl]-3-phenylurea?
1-[3-[6,7-dimethoxy-2-(methylamino)quinazolin-4-yl]phenyl]-3-phenylurea has a molecular weight of 429.48 g/mol, XLogP of 5.00, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[6,7-dimethoxy-2-(methylamino)quinazolin-4-yl]phenyl]-3-phenylurea is sourced from PubChem (CID 22663120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).