(3R)-1-[2-(dimethylamino)ethyl]-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide

C19H29N5O2 — CID 95123773

IUPAC(3R)-1-[2-(dimethylamino)ethyl]-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1nc(CNC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)nc2c1CCCC2
InChIInChI=1S/C19H29N5O2/c1-13-15-6-4-5-7-16(15)22-17(21-13)11-20-19(26)14-10-18(25)24(12-14)9-8-23(2)3/h14H,4-12H2,1-3H3,(H,20,26)/t14-/m1/s1
InChIKeyWCTWLWPMHPXDEL-CQSZACIVSA-N
MW359.47 g/mol
LogP0.69
Rot. Bonds6

About (3R)-1-[2-(dimethylamino)ethyl]-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide

(3R)-1-[2-(dimethylamino)ethyl]-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 95123773) has the molecular formula C19H29N5O2 and a molecular weight of 359.47 g/mol. Its IUPAC name is (3R)-1-[2-(dimethylamino)ethyl]-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[2-(dimethylamino)ethyl]-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID95123773
Molecular FormulaC19H29N5O2
Molecular Weight359.47 g/mol
Exact Mass359.23
IUPAC Name(3R)-1-[2-(dimethylamino)ethyl]-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1nc(CNC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)nc2c1CCCC2
InChIInChI=1S/C19H29N5O2/c1-13-15-6-4-5-7-16(15)22-17(21-13)11-20-19(26)14-10-18(25)24(12-14)9-8-23(2)3/h14H,4-12H2,1-3H3,(H,20,26)/t14-/m1/s1
InChIKeyWCTWLWPMHPXDEL-CQSZACIVSA-N
XLogP0.69
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(dimethylamino)ethyl]-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 50956956
(3R)-1-ethyl-N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 97130107
(3S)-1-[2-(dimethylamino)ethyl]-N-[(2,5-dimethylpyrazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 97192259
4-[[[1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carbonyl]amino]methyl]benzoic acid
CID 119353454
(3R)-1-[2-(dimethylamino)ethyl]-5-oxo-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide
CID 124508095
(3R)-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 97282504
(1S,3R,4R)-3-amino-4-hydroxy-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 155937997
1-[2-(dimethylamino)ethyl]-N-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 113182823
1-[2-(dimethylamino)ethyl]-5-oxo-N-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide
CID 131927188
N-(3-aminobutyl)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 119497303
(3S)-1-[2-(dimethylamino)ethyl]-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 96568281
N-butyl-1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carboxamide
CID 108787285

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-(dimethylamino)ethyl]-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-[2-(dimethylamino)ethyl]-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide (CID 95123773) is (3R)-1-[2-(dimethylamino)ethyl]-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[2-(dimethylamino)ethyl]-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-[2-(dimethylamino)ethyl]-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide is Cc1nc(CNC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)nc2c1CCCC2.
What is the InChIKey of (3R)-1-[2-(dimethylamino)ethyl]-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is WCTWLWPMHPXDEL-CQSZACIVSA-N. The full InChI is InChI=1S/C19H29N5O2/c1-13-15-6-4-5-7-16(15)22-17(21-13)11-20-19(26)14-10-18(25)24(12-14)9-8-23(2)3/h14H,4-12H2,1-3H3,(H,20,26)/t14-/m1/s1.
What are the key properties of (3R)-1-[2-(dimethylamino)ethyl]-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
(3R)-1-[2-(dimethylamino)ethyl]-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 359.47 g/mol, XLogP of 0.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[2-(dimethylamino)ethyl]-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 95123773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).