6-[butyl(methyl)amino]-2-(2-methoxyphenyl)-3-(piperidin-3-ylmethyl)quinazolin-4-one

C26H34N4O2 — CID 23630816

IUPAC6-[butyl(methyl)amino]-2-(2-methoxyphenyl)-3-(piperidin-3-ylmethyl)quinazolin-4-one
SMILESCCCCN(C)c1ccc2nc(-c3ccccc3OC)n(CC3CCCNC3)c(=O)c2c1
InChIInChI=1S/C26H34N4O2/c1-4-5-15-29(2)20-12-13-23-22(16-20)26(31)30(18-19-9-8-14-27-17-19)25(28-23)21-10-6-7-11-24(21)32-3/h6-7,10-13,16,19,27H,4-5,8-9,14-15,17-18H2,1-3H3
InChIKeyQTMCHHWITGOFQV-UHFFFAOYSA-N
MW434.58 g/mol
LogP4.31
Rot. Bonds8

About 6-[butyl(methyl)amino]-2-(2-methoxyphenyl)-3-(piperidin-3-ylmethyl)quinazolin-4-one

6-[butyl(methyl)amino]-2-(2-methoxyphenyl)-3-(piperidin-3-ylmethyl)quinazolin-4-one (PubChem CID 23630816) has the molecular formula C26H34N4O2 and a molecular weight of 434.58 g/mol. Its IUPAC name is 6-[butyl(methyl)amino]-2-(2-methoxyphenyl)-3-(piperidin-3-ylmethyl)quinazolin-4-one.

Molecular Properties

Compound Name6-[butyl(methyl)amino]-2-(2-methoxyphenyl)-3-(piperidin-3-ylmethyl)quinazolin-4-one
PubChem CID23630816
Molecular FormulaC26H34N4O2
Molecular Weight434.58 g/mol
Exact Mass434.27
IUPAC Name6-[butyl(methyl)amino]-2-(2-methoxyphenyl)-3-(piperidin-3-ylmethyl)quinazolin-4-one
SMILESCCCCN(C)c1ccc2nc(-c3ccccc3OC)n(CC3CCCNC3)c(=O)c2c1
InChIInChI=1S/C26H34N4O2/c1-4-5-15-29(2)20-12-13-23-22(16-20)26(31)30(18-19-9-8-14-27-17-19)25(28-23)21-10-6-7-11-24(21)32-3/h6-7,10-13,16,19,27H,4-5,8-9,14-15,17-18H2,1-3H3
InChIKeyQTMCHHWITGOFQV-UHFFFAOYSA-N
XLogP4.31
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.58
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2-Ethoxyphenyl)-2-(piperazin-1-ylmethyl)quinazolin-4-one
CID 11559627
2-(4-(3-(piperidin-1-yl)propoxy)phenyl)-3-propylquinazolin-4(3H)-one
CID 11502343
3-Methyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]-4(3H)-quinazolinone
CID 11516386
3-Ethyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]-4(3H)-quinazolinone
CID 11689687
2-Methyl-3-[4-({3-[(3S)-3-methyl-1-piperidinyl]propyl}oxy)phenyl]-4(3H)-quinazolinone
CID 24951038
2-methoxy-N-[4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]phenyl]benzamide
CID 69227465
2-(2-ethoxyphenyl)-4-(3H)-quinazolone
CID 136006573
N-[3-(4,5-diethyl-6-oxo-1H-pyrimidin-2-yl)-4-propoxyphenyl]-1-methylpiperidine-4-carboxamide
CID 155537188
(2E)-3-(2-furyl)-N-(11-oxo-6,8,9,11-tetrahydro-7H-pyrido[2,1-b]quinazolin-2-yl)acrylamide
CID 16193590
3-methoxy-N-[4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]phenyl]benzamide
CID 70685867
N~1~-(2-methoxybenzyl)-N~3~-[(4-oxoquinazolin-3(4H)-yl)acetyl]-beta-alaninamide
CID 3245794
3-(4-{[3-(3,5-Dimethyl-1-piperidinyl)propyl]oxy}phenyl)-2-methyl-4(3H)-quinazolinone
CID 11509682

Frequently Asked Questions

What is the IUPAC name of 6-[butyl(methyl)amino]-2-(2-methoxyphenyl)-3-(piperidin-3-ylmethyl)quinazolin-4-one?
The IUPAC name of 6-[butyl(methyl)amino]-2-(2-methoxyphenyl)-3-(piperidin-3-ylmethyl)quinazolin-4-one (CID 23630816) is 6-[butyl(methyl)amino]-2-(2-methoxyphenyl)-3-(piperidin-3-ylmethyl)quinazolin-4-one.
What is the SMILES notation for 6-[butyl(methyl)amino]-2-(2-methoxyphenyl)-3-(piperidin-3-ylmethyl)quinazolin-4-one?
The canonical SMILES for 6-[butyl(methyl)amino]-2-(2-methoxyphenyl)-3-(piperidin-3-ylmethyl)quinazolin-4-one is CCCCN(C)c1ccc2nc(-c3ccccc3OC)n(CC3CCCNC3)c(=O)c2c1.
What is the InChIKey of 6-[butyl(methyl)amino]-2-(2-methoxyphenyl)-3-(piperidin-3-ylmethyl)quinazolin-4-one?
The InChIKey is QTMCHHWITGOFQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O2/c1-4-5-15-29(2)20-12-13-23-22(16-20)26(31)30(18-19-9-8-14-27-17-19)25(28-23)21-10-6-7-11-24(21)32-3/h6-7,10-13,16,19,27H,4-5,8-9,14-15,17-18H2,1-3H3.
What are the key properties of 6-[butyl(methyl)amino]-2-(2-methoxyphenyl)-3-(piperidin-3-ylmethyl)quinazolin-4-one?
6-[butyl(methyl)amino]-2-(2-methoxyphenyl)-3-(piperidin-3-ylmethyl)quinazolin-4-one has a molecular weight of 434.58 g/mol, XLogP of 4.31, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[butyl(methyl)amino]-2-(2-methoxyphenyl)-3-(piperidin-3-ylmethyl)quinazolin-4-one is sourced from PubChem (CID 23630816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).