6-[(2E)-4,4-dipropyl-2-propylidenepyrrolidin-1-yl]-7-methoxy-4-methylquinazoline

C23H33N3O — CID 142392553

IUPAC6-[(2E)-4,4-dipropyl-2-propylidenepyrrolidin-1-yl]-7-methoxy-4-methylquinazoline
SMILESCC/C=C1\CC(CCC)(CCC)CN1c1cc2c(C)ncnc2cc1OC
InChIInChI=1S/C23H33N3O/c1-6-9-18-14-23(10-7-2,11-8-3)15-26(18)21-12-19-17(4)24-16-25-20(19)13-22(21)27-5/h9,12-13,16H,6-8,10-11,14-15H2,1-5H3/b18-9+
InChIKeyBNCKWDLQJLCTIW-GIJQJNRQSA-N
MW367.54 g/mol
LogP6.04
Rot. Bonds7

About 6-[(2E)-4,4-dipropyl-2-propylidenepyrrolidin-1-yl]-7-methoxy-4-methylquinazoline

6-[(2E)-4,4-dipropyl-2-propylidenepyrrolidin-1-yl]-7-methoxy-4-methylquinazoline (PubChem CID 142392553) has the molecular formula C23H33N3O and a molecular weight of 367.54 g/mol. Its IUPAC name is 6-[(2E)-4,4-dipropyl-2-propylidenepyrrolidin-1-yl]-7-methoxy-4-methylquinazoline.

Molecular Properties

Compound Name6-[(2E)-4,4-dipropyl-2-propylidenepyrrolidin-1-yl]-7-methoxy-4-methylquinazoline
PubChem CID142392553
Molecular FormulaC23H33N3O
Molecular Weight367.54 g/mol
Exact Mass367.26
IUPAC Name6-[(2E)-4,4-dipropyl-2-propylidenepyrrolidin-1-yl]-7-methoxy-4-methylquinazoline
SMILESCC/C=C1\CC(CCC)(CCC)CN1c1cc2c(C)ncnc2cc1OC
InChIInChI=1S/C23H33N3O/c1-6-9-18-14-23(10-7-2,11-8-3)15-26(18)21-12-19-17(4)24-16-25-20(19)13-22(21)27-5/h9,12-13,16H,6-8,10-11,14-15H2,1-5H3/b18-9+
InChIKeyBNCKWDLQJLCTIW-GIJQJNRQSA-N
XLogP6.04
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.54
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6,7-dimethoxy-4-methylquinazoline
CID 4319422
3-(7-methoxy-4-methylquinazolin-6-yl)-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 142392548
6-cyclopropyl-7-methoxy-4-methylquinazoline
CID 167049426
1-[4-(2,4-difluoro-3-methoxyanilino)-7-methoxyquinazolin-6-yl]-4,4-diethylpyrrolidin-2-one
CID 146246259
6,7-dimethoxy-4-propylquinazoline
CID 4077807
4-(3,3-dipropylazetidin-1-yl)-3-methoxybenzonitrile
CID 104849277
7-[4-(2,4-dimethylanilino)-7-methoxyquinazolin-6-yl]-2-methyl-5-oxa-2,7-diazaspiro[3.4]octan-6-one
CID 135201740
2-[1-(6,7-dimethoxyquinazolin-4-yl)-3-methylazetidin-3-yl]ethylboronic acid
CID 163275324
3-[4-[3-(dimethylamino)-4-ethyl-2-methylanilino]-7-methoxyquinazolin-6-yl]-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 166969355
4-(azetidin-1-yl)-6-ethyl-7-methoxyquinazoline
CID 176978917
1-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]pyrrolidin-2-one
CID 141440637
tert-butyl 7-[4-(2,4-dimethylanilino)-7-methoxyquinazolin-6-yl]-6-oxo-5-oxa-2,7-diazaspiro[3.4]octane-2-carboxylate
CID 135201349

Frequently Asked Questions

What is the IUPAC name of 6-[(2E)-4,4-dipropyl-2-propylidenepyrrolidin-1-yl]-7-methoxy-4-methylquinazoline?
The IUPAC name of 6-[(2E)-4,4-dipropyl-2-propylidenepyrrolidin-1-yl]-7-methoxy-4-methylquinazoline (CID 142392553) is 6-[(2E)-4,4-dipropyl-2-propylidenepyrrolidin-1-yl]-7-methoxy-4-methylquinazoline.
What is the SMILES notation for 6-[(2E)-4,4-dipropyl-2-propylidenepyrrolidin-1-yl]-7-methoxy-4-methylquinazoline?
The canonical SMILES for 6-[(2E)-4,4-dipropyl-2-propylidenepyrrolidin-1-yl]-7-methoxy-4-methylquinazoline is CC/C=C1\CC(CCC)(CCC)CN1c1cc2c(C)ncnc2cc1OC.
What is the InChIKey of 6-[(2E)-4,4-dipropyl-2-propylidenepyrrolidin-1-yl]-7-methoxy-4-methylquinazoline?
The InChIKey is BNCKWDLQJLCTIW-GIJQJNRQSA-N. The full InChI is InChI=1S/C23H33N3O/c1-6-9-18-14-23(10-7-2,11-8-3)15-26(18)21-12-19-17(4)24-16-25-20(19)13-22(21)27-5/h9,12-13,16H,6-8,10-11,14-15H2,1-5H3/b18-9+.
What are the key properties of 6-[(2E)-4,4-dipropyl-2-propylidenepyrrolidin-1-yl]-7-methoxy-4-methylquinazoline?
6-[(2E)-4,4-dipropyl-2-propylidenepyrrolidin-1-yl]-7-methoxy-4-methylquinazoline has a molecular weight of 367.54 g/mol, XLogP of 6.04, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2E)-4,4-dipropyl-2-propylidenepyrrolidin-1-yl]-7-methoxy-4-methylquinazoline is sourced from PubChem (CID 142392553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).