4-[(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)amino]-1-(2-methoxyphenyl)pyrrolidin-2-one

C19H23N5O2 — CID 72842101

IUPAC4-[(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)amino]-1-(2-methoxyphenyl)pyrrolidin-2-one
SMILESCOc1ccccc1N1CC(Nc2nc(N)nc3c2CCCC3)CC1=O
InChIInChI=1S/C19H23N5O2/c1-26-16-9-5-4-8-15(16)24-11-12(10-17(24)25)21-18-13-6-2-3-7-14(13)22-19(20)23-18/h4-5,8-9,12H,2-3,6-7,10-11H2,1H3,(H3,20,21,22,23)
InChIKeyIZXWTPZILJUKLU-UHFFFAOYSA-N
MW353.43 g/mol
LogP2.16
Rot. Bonds4

About 4-[(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)amino]-1-(2-methoxyphenyl)pyrrolidin-2-one

4-[(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)amino]-1-(2-methoxyphenyl)pyrrolidin-2-one (PubChem CID 72842101) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is 4-[(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)amino]-1-(2-methoxyphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-[(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)amino]-1-(2-methoxyphenyl)pyrrolidin-2-one
PubChem CID72842101
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name4-[(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)amino]-1-(2-methoxyphenyl)pyrrolidin-2-one
SMILESCOc1ccccc1N1CC(Nc2nc(N)nc3c2CCCC3)CC1=O
InChIInChI=1S/C19H23N5O2/c1-26-16-9-5-4-8-15(16)24-11-12(10-17(24)25)21-18-13-6-2-3-7-14(13)22-19(20)23-18/h4-5,8-9,12H,2-3,6-7,10-11H2,1H3,(H3,20,21,22,23)
InChIKeyIZXWTPZILJUKLU-UHFFFAOYSA-N
XLogP2.16
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(2-amino-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)amino]-1-(2-methoxyphenyl)pyrrolidin-2-one
CID 56743134
N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-2-methyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 133472386
N-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-methyl-4,5,6,7-tetrahydro-1-benzofuran-3-carboxamide
CID 51598299
N-[(3S)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-methylfuran-2-carboxamide
CID 95217188
(4R)-1-(2-methoxyphenyl)-4-(pentan-3-ylamino)pyrrolidin-2-one
CID 95123830
N-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-1H-pyrazole-4-carboxamide
CID 99937887
2-(cyclopenten-1-yl)-N-[1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]acetamide
CID 119063709
N-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 97137286
(2S)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-methylbutanamide
CID 51584425
1-(2-methoxyphenyl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168670200
3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-1-(2-methoxyphenyl)piperidin-2-one
CID 102557521
(2S)-2-(2-fluorophenoxy)-N-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]propanamide
CID 51583799

Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)amino]-1-(2-methoxyphenyl)pyrrolidin-2-one?
The IUPAC name of 4-[(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)amino]-1-(2-methoxyphenyl)pyrrolidin-2-one (CID 72842101) is 4-[(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)amino]-1-(2-methoxyphenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-[(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)amino]-1-(2-methoxyphenyl)pyrrolidin-2-one?
The canonical SMILES for 4-[(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)amino]-1-(2-methoxyphenyl)pyrrolidin-2-one is COc1ccccc1N1CC(Nc2nc(N)nc3c2CCCC3)CC1=O.
What is the InChIKey of 4-[(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)amino]-1-(2-methoxyphenyl)pyrrolidin-2-one?
The InChIKey is IZXWTPZILJUKLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-26-16-9-5-4-8-15(16)24-11-12(10-17(24)25)21-18-13-6-2-3-7-14(13)22-19(20)23-18/h4-5,8-9,12H,2-3,6-7,10-11H2,1H3,(H3,20,21,22,23).
What are the key properties of 4-[(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)amino]-1-(2-methoxyphenyl)pyrrolidin-2-one?
4-[(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)amino]-1-(2-methoxyphenyl)pyrrolidin-2-one has a molecular weight of 353.43 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)amino]-1-(2-methoxyphenyl)pyrrolidin-2-one is sourced from PubChem (CID 72842101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).