2-[[2-(2-methoxy-5-methylanilino)quinazolin-4-yl]amino]butan-1-ol

C20H24N4O2 — CID 91964124

IUPAC2-[[2-(2-methoxy-5-methylanilino)quinazolin-4-yl]amino]butan-1-ol
SMILESCCC(CO)Nc1nc(Nc2cc(C)ccc2OC)nc2ccccc12
InChIInChI=1S/C20H24N4O2/c1-4-14(12-25)21-19-15-7-5-6-8-16(15)22-20(24-19)23-17-11-13(2)9-10-18(17)26-3/h5-11,14,25H,4,12H2,1-3H3,(H2,21,22,23,24)
InChIKeyRPDAPMKRNNLLLZ-UHFFFAOYSA-N
MW352.44 g/mol
LogP3.87
Rot. Bonds7

About 2-[[2-(2-methoxy-5-methylanilino)quinazolin-4-yl]amino]butan-1-ol

2-[[2-(2-methoxy-5-methylanilino)quinazolin-4-yl]amino]butan-1-ol (PubChem CID 91964124) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 2-[[2-(2-methoxy-5-methylanilino)quinazolin-4-yl]amino]butan-1-ol.

Molecular Properties

Compound Name2-[[2-(2-methoxy-5-methylanilino)quinazolin-4-yl]amino]butan-1-ol
PubChem CID91964124
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name2-[[2-(2-methoxy-5-methylanilino)quinazolin-4-yl]amino]butan-1-ol
SMILESCCC(CO)Nc1nc(Nc2cc(C)ccc2OC)nc2ccccc12
InChIInChI=1S/C20H24N4O2/c1-4-14(12-25)21-19-15-7-5-6-8-16(15)22-20(24-19)23-17-11-13(2)9-10-18(17)26-3/h5-11,14,25H,4,12H2,1-3H3,(H2,21,22,23,24)
InChIKeyRPDAPMKRNNLLLZ-UHFFFAOYSA-N
XLogP3.87
TPSA79.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 53.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[[2-(2-methoxy-5-methylanilino)quinazolin-4-yl]amino]butan-1-ol with MolForge

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Related Compounds

2-N-(2-methoxy-5-methylphenyl)-4-N-[(2-methoxyphenyl)methyl]quinazoline-2,4-diamine
CID 91963270
2-[[2-(2,5-dimethoxyanilino)quinazolin-4-yl]amino]propanoic acid
CID 91964007
2-[[2-[4-(diethylamino)anilino]quinazolin-4-yl]amino]butan-1-ol
CID 91964106
2-[[2-(5-chloro-2-methoxyanilino)quinazolin-4-yl]amino]ethanol;hydrochloride
CID 2973041
3-methoxy-2-[[2-(propylamino)quinazolin-4-yl]amino]propan-1-ol
CID 106198698
N-(2-methoxy-5-methylphenyl)-4-methylquinolin-2-amine
CID 619056
2-[[4-(4-methoxyanilino)quinazolin-2-yl]amino]-4-methylphenol
CID 71691173
2-[4-(2-methoxy-5-methylanilino)quinolin-2-yl]acetic acid
CID 110435483
2-N-ethyl-4-N-(1-methoxybutan-2-yl)quinazoline-2,4-diamine
CID 80836524
2-(2-fluorophenyl)-N-(2-methoxy-5-methylphenyl)quinazolin-4-amine
CID 4523898
2-N-(5-chloro-2-methoxyphenyl)-4-N-(3-methoxypropyl)quinazoline-2,4-diamine
CID 91963458
2-[[2-[4-(4-methoxyphenyl)piperazin-1-yl]quinazolin-4-yl]amino]butan-1-ol
CID 91963216

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-methoxy-5-methylanilino)quinazolin-4-yl]amino]butan-1-ol?
The IUPAC name of 2-[[2-(2-methoxy-5-methylanilino)quinazolin-4-yl]amino]butan-1-ol (CID 91964124) is 2-[[2-(2-methoxy-5-methylanilino)quinazolin-4-yl]amino]butan-1-ol.
What is the SMILES notation for 2-[[2-(2-methoxy-5-methylanilino)quinazolin-4-yl]amino]butan-1-ol?
The canonical SMILES for 2-[[2-(2-methoxy-5-methylanilino)quinazolin-4-yl]amino]butan-1-ol is CCC(CO)Nc1nc(Nc2cc(C)ccc2OC)nc2ccccc12.
What is the InChIKey of 2-[[2-(2-methoxy-5-methylanilino)quinazolin-4-yl]amino]butan-1-ol?
The InChIKey is RPDAPMKRNNLLLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-4-14(12-25)21-19-15-7-5-6-8-16(15)22-20(24-19)23-17-11-13(2)9-10-18(17)26-3/h5-11,14,25H,4,12H2,1-3H3,(H2,21,22,23,24).
What are the key properties of 2-[[2-(2-methoxy-5-methylanilino)quinazolin-4-yl]amino]butan-1-ol?
2-[[2-(2-methoxy-5-methylanilino)quinazolin-4-yl]amino]butan-1-ol has a molecular weight of 352.44 g/mol, XLogP of 3.87, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-methoxy-5-methylanilino)quinazolin-4-yl]amino]butan-1-ol is sourced from PubChem (CID 91964124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).