2-(dimethylamino)-N-(3-methoxyphenyl)-8-methyl-6,7-dihydro-5H-quinazoline-8-carboxamide

C19H24N4O2 — CID 134807526

IUPAC2-(dimethylamino)-N-(3-methoxyphenyl)-8-methyl-6,7-dihydro-5H-quinazoline-8-carboxamide
SMILESCOc1cccc(NC(=O)C2(C)CCCc3cnc(N(C)C)nc32)c1
InChIInChI=1S/C19H24N4O2/c1-19(17(24)21-14-8-5-9-15(11-14)25-4)10-6-7-13-12-20-18(23(2)3)22-16(13)19/h5,8-9,11-12H,6-7,10H2,1-4H3,(H,21,24)
InChIKeyYJCBUUHCIYDGMG-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.78
Rot. Bonds4

About 2-(dimethylamino)-N-(3-methoxyphenyl)-8-methyl-6,7-dihydro-5H-quinazoline-8-carboxamide

2-(dimethylamino)-N-(3-methoxyphenyl)-8-methyl-6,7-dihydro-5H-quinazoline-8-carboxamide (PubChem CID 134807526) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 2-(dimethylamino)-N-(3-methoxyphenyl)-8-methyl-6,7-dihydro-5H-quinazoline-8-carboxamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-(3-methoxyphenyl)-8-methyl-6,7-dihydro-5H-quinazoline-8-carboxamide
PubChem CID134807526
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name2-(dimethylamino)-N-(3-methoxyphenyl)-8-methyl-6,7-dihydro-5H-quinazoline-8-carboxamide
SMILESCOc1cccc(NC(=O)C2(C)CCCc3cnc(N(C)C)nc32)c1
InChIInChI=1S/C19H24N4O2/c1-19(17(24)21-14-8-5-9-15(11-14)25-4)10-6-7-13-12-20-18(23(2)3)22-16(13)19/h5,8-9,11-12H,6-7,10H2,1-4H3,(H,21,24)
InChIKeyYJCBUUHCIYDGMG-UHFFFAOYSA-N
XLogP2.78
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(benzylamino)-N-(3-methoxyphenyl)-7-methyl-5,6-dihydrocyclopenta[d]pyrimidine-7-carboxamide
CID 134807776
2-[3-[(1-methyl-3,4-dihydro-2H-naphthalene-1-carbonyl)amino]phenoxy]acetic acid
CID 119224830
1-[(3-methoxyphenyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 55034694
N-(3-methoxyphenyl)-1-phenylcyclopentane-1-carboxamide
CID 1455676
1-amino-N-(3-methoxyphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119261882
N-(3-methoxyphenyl)-5,6,7,8-tetrahydronaphthalene-1-carboxamide
CID 98000866
1-(2-methoxyphenyl)-N-(3-methoxyphenyl)cyclobutane-1-carboxamide
CID 110439026
3-[(3-methoxyphenyl)carbamoyl]-1,2,2,3-tetramethylcyclopentane-1-carboxylic acid
CID 4729422
1-cyano-N-(3-methoxyphenyl)-3-methylcyclobutane-1-carboxamide
CID 80501151
1-(3,4-dimethoxyphenyl)-N-(3-methoxyphenyl)cyclopentane-1-carboxamide
CID 1234744
1-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-3-(3-methoxyphenyl)urea
CID 122252907
1-(cyclopropylmethyl)-4-[2-(dimethylamino)pyrimidin-5-yl]-N-(3-methoxyphenyl)pyrrole-2-carboxamide
CID 95043029

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-(3-methoxyphenyl)-8-methyl-6,7-dihydro-5H-quinazoline-8-carboxamide?
The IUPAC name of 2-(dimethylamino)-N-(3-methoxyphenyl)-8-methyl-6,7-dihydro-5H-quinazoline-8-carboxamide (CID 134807526) is 2-(dimethylamino)-N-(3-methoxyphenyl)-8-methyl-6,7-dihydro-5H-quinazoline-8-carboxamide.
What is the SMILES notation for 2-(dimethylamino)-N-(3-methoxyphenyl)-8-methyl-6,7-dihydro-5H-quinazoline-8-carboxamide?
The canonical SMILES for 2-(dimethylamino)-N-(3-methoxyphenyl)-8-methyl-6,7-dihydro-5H-quinazoline-8-carboxamide is COc1cccc(NC(=O)C2(C)CCCc3cnc(N(C)C)nc32)c1.
What is the InChIKey of 2-(dimethylamino)-N-(3-methoxyphenyl)-8-methyl-6,7-dihydro-5H-quinazoline-8-carboxamide?
The InChIKey is YJCBUUHCIYDGMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-19(17(24)21-14-8-5-9-15(11-14)25-4)10-6-7-13-12-20-18(23(2)3)22-16(13)19/h5,8-9,11-12H,6-7,10H2,1-4H3,(H,21,24).
What are the key properties of 2-(dimethylamino)-N-(3-methoxyphenyl)-8-methyl-6,7-dihydro-5H-quinazoline-8-carboxamide?
2-(dimethylamino)-N-(3-methoxyphenyl)-8-methyl-6,7-dihydro-5H-quinazoline-8-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-(3-methoxyphenyl)-8-methyl-6,7-dihydro-5H-quinazoline-8-carboxamide is sourced from PubChem (CID 134807526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).