2-[4-[3-(diethylamino)-2-hydroxypropoxy]phenyl]-6-methoxy-3-methylquinazolin-4-one

C23H29N3O4 — CID 15580746

IUPAC2-[4-[3-(diethylamino)-2-hydroxypropoxy]phenyl]-6-methoxy-3-methylquinazolin-4-one
SMILESCCN(CC)CC(O)COc1ccc(-c2nc3ccc(OC)cc3c(=O)n2C)cc1
InChIInChI=1S/C23H29N3O4/c1-5-26(6-2)14-17(27)15-30-18-9-7-16(8-10-18)22-24-21-12-11-19(29-4)13-20(21)23(28)25(22)3/h7-13,17,27H,5-6,14-15H2,1-4H3
InChIKeyDTHHJNRFHYXJPP-UHFFFAOYSA-N
MW411.50 g/mol
LogP2.69
Rot. Bonds9

About 2-[4-[3-(diethylamino)-2-hydroxypropoxy]phenyl]-6-methoxy-3-methylquinazolin-4-one

2-[4-[3-(diethylamino)-2-hydroxypropoxy]phenyl]-6-methoxy-3-methylquinazolin-4-one (PubChem CID 15580746) has the molecular formula C23H29N3O4 and a molecular weight of 411.50 g/mol. Its IUPAC name is 2-[4-[3-(diethylamino)-2-hydroxypropoxy]phenyl]-6-methoxy-3-methylquinazolin-4-one.

Molecular Properties

Compound Name2-[4-[3-(diethylamino)-2-hydroxypropoxy]phenyl]-6-methoxy-3-methylquinazolin-4-one
PubChem CID15580746
Molecular FormulaC23H29N3O4
Molecular Weight411.50 g/mol
Exact Mass411.22
IUPAC Name2-[4-[3-(diethylamino)-2-hydroxypropoxy]phenyl]-6-methoxy-3-methylquinazolin-4-one
SMILESCCN(CC)CC(O)COc1ccc(-c2nc3ccc(OC)cc3c(=O)n2C)cc1
InChIInChI=1S/C23H29N3O4/c1-5-26(6-2)14-17(27)15-30-18-9-7-16(8-10-18)22-24-21-12-11-19(29-4)13-20(21)23(28)25(22)3/h7-13,17,27H,5-6,14-15H2,1-4H3
InChIKeyDTHHJNRFHYXJPP-UHFFFAOYSA-N
XLogP2.69
TPSA76.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[4-[3-(diethylamino)-2-hydroxypropoxy]phenyl]-6-methoxy-3-methylquinazolin-4-one with MolForge

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Related Compounds

2-[6-[(2S)-3-(diethylamino)-2-methylpropoxy]-2-(3-methoxyphenyl)-4-oxoquinazolin-3-yl]-N-propan-2-ylacetamide
CID 59511766
2-[4-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-3-methylpyrido[4,3-d]pyrimidin-4-one;dihydrochloride
CID 20504701
1-[2-(3,4-dichlorophenyl)-6-methoxyquinolin-4-yl]-2-(diethylamino)ethanol
CID 90669087
6-[3-(diethylamino)-2-hydroxypropoxy]-4-methylchromen-2-one
CID 44578881
(2R)-1-(4-bromophenoxy)-3-(diethylamino)propan-2-ol
CID 26961688
6-methoxy-3-(4-methoxyphenyl)quinazolin-4-one
CID 127038187
3-[4-[3-[[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]amino]-2-hydroxypropoxy]phenyl]-7-methoxy-2-methylisoquinolin-1-one
CID 169439438
3-[4-[3-(N-ethyl-2-methoxyanilino)-2-hydroxypropoxy]-3-methoxyphenyl]-7-methoxy-2-methylisoquinolin-1-one
CID 21319069
1-(diethylamino)-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol
CID 4597513
1-(4-tert-butylphenoxy)-3-(diethylamino)propan-2-ol
CID 2843556
3-(6-methoxy-4-oxoquinazolin-3-yl)propanoic acid
CID 117264158
N-[3-[ethyl-[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]-2-hydroxypropyl]sulfamate
CID 171979608

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(diethylamino)-2-hydroxypropoxy]phenyl]-6-methoxy-3-methylquinazolin-4-one?
The IUPAC name of 2-[4-[3-(diethylamino)-2-hydroxypropoxy]phenyl]-6-methoxy-3-methylquinazolin-4-one (CID 15580746) is 2-[4-[3-(diethylamino)-2-hydroxypropoxy]phenyl]-6-methoxy-3-methylquinazolin-4-one.
What is the SMILES notation for 2-[4-[3-(diethylamino)-2-hydroxypropoxy]phenyl]-6-methoxy-3-methylquinazolin-4-one?
The canonical SMILES for 2-[4-[3-(diethylamino)-2-hydroxypropoxy]phenyl]-6-methoxy-3-methylquinazolin-4-one is CCN(CC)CC(O)COc1ccc(-c2nc3ccc(OC)cc3c(=O)n2C)cc1.
What is the InChIKey of 2-[4-[3-(diethylamino)-2-hydroxypropoxy]phenyl]-6-methoxy-3-methylquinazolin-4-one?
The InChIKey is DTHHJNRFHYXJPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4/c1-5-26(6-2)14-17(27)15-30-18-9-7-16(8-10-18)22-24-21-12-11-19(29-4)13-20(21)23(28)25(22)3/h7-13,17,27H,5-6,14-15H2,1-4H3.
What are the key properties of 2-[4-[3-(diethylamino)-2-hydroxypropoxy]phenyl]-6-methoxy-3-methylquinazolin-4-one?
2-[4-[3-(diethylamino)-2-hydroxypropoxy]phenyl]-6-methoxy-3-methylquinazolin-4-one has a molecular weight of 411.50 g/mol, XLogP of 2.69, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(diethylamino)-2-hydroxypropoxy]phenyl]-6-methoxy-3-methylquinazolin-4-one is sourced from PubChem (CID 15580746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).