(3S)-3-amino-1-[(4-aminoquinazolin-7-yl)methyl]pyrrolidin-2-one;hydrochloride

C13H16ClN5O — CID 20680716

IUPAC(3S)-3-amino-1-[(4-aminoquinazolin-7-yl)methyl]pyrrolidin-2-one;hydrochloride
SMILESCl.Nc1ncnc2cc(CN3CC[C@H](N)C3=O)ccc12
InChIInChI=1S/C13H15N5O.ClH/c14-10-3-4-18(13(10)19)6-8-1-2-9-11(5-8)16-7-17-12(9)15;/h1-2,5,7,10H,3-4,6,14H2,(H2,15,16,17);1H/t10-;/m0./s1
InChIKeyKXKIUTLBIVSBMH-PPHPATTJSA-N
MW293.76 g/mol
LogP0.69
Rot. Bonds2

About (3S)-3-amino-1-[(4-aminoquinazolin-7-yl)methyl]pyrrolidin-2-one;hydrochloride

(3S)-3-amino-1-[(4-aminoquinazolin-7-yl)methyl]pyrrolidin-2-one;hydrochloride (PubChem CID 20680716) has the molecular formula C13H16ClN5O and a molecular weight of 293.76 g/mol. Its IUPAC name is (3S)-3-amino-1-[(4-aminoquinazolin-7-yl)methyl]pyrrolidin-2-one;hydrochloride.

Molecular Properties

Compound Name(3S)-3-amino-1-[(4-aminoquinazolin-7-yl)methyl]pyrrolidin-2-one;hydrochloride
PubChem CID20680716
Molecular FormulaC13H16ClN5O
Molecular Weight293.76 g/mol
Exact Mass293.10
IUPAC Name(3S)-3-amino-1-[(4-aminoquinazolin-7-yl)methyl]pyrrolidin-2-one;hydrochloride
SMILESCl.Nc1ncnc2cc(CN3CC[C@H](N)C3=O)ccc12
InChIInChI=1S/C13H15N5O.ClH/c14-10-3-4-18(13(10)19)6-8-1-2-9-11(5-8)16-7-17-12(9)15;/h1-2,5,7,10H,3-4,6,14H2,(H2,15,16,17);1H/t10-;/m0./s1
InChIKeyKXKIUTLBIVSBMH-PPHPATTJSA-N
XLogP0.69
TPSA98.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.76
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[(3S)-1-[(4-aminoquinazolin-7-yl)methyl]-2-oxopyrrolidin-3-yl]carbamate
CID 70070961
(3S)-1-[(4-aminoquinazolin-6-yl)methyl]-2-oxopyrrolidine-3-carboxamide
CID 20680552
(3S)-1-[(4-aminoquinazolin-7-yl)methyl]-4-[(6-chloronaphthalen-2-yl)methyl]-3-methylpiperazin-2-one
CID 54143172
1-[(4-aminoquinazolin-7-yl)methyl]-3-(naphthalen-2-ylmethyl)piperazin-2-one
CID 70129166
(3S)-3-amino-1-(3H-benzimidazol-5-ylmethyl)pyrrolidin-2-one
CID 70024616
(3R)-3-amino-1-[(1-aminoisoquinolin-7-yl)methyl]pyrrolidin-2-one;2,2,2-trifluoroacetic acid
CID 20680693
(3S)-1-[(4-aminoquinazolin-7-yl)methyl]-4-[(3-chloro-1H-indol-6-yl)methyl]-3-methylpiperazin-2-one
CID 54160235
1-[(4-aminoquinazolin-7-yl)methyl]-4-[2-(4-chlorophenoxy)ethyl]piperazin-2-one
CID 54455575
1-[(4-aminoquinazolin-7-yl)methyl]-4-[(6-chloro-1H-benzimidazol-2-yl)methyl]-3-methylpiperazin-2-one
CID 69025109
(3S)-1-[(4-aminoquinazolin-7-yl)methyl]-4-[2-(5-chlorothiophen-2-yl)oxyethyl]-3-(methoxymethyl)piperazin-2-one
CID 57025919
1-[(4-aminoquinazolin-7-yl)methyl]-4-[2-(3,5-dichlorothiophen-2-yl)oxyacetyl]-3-ethylpiperazin-2-one
CID 69027210
(3R)-3-amino-1-benzylpyrrolidin-2-one
CID 11128028

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-1-[(4-aminoquinazolin-7-yl)methyl]pyrrolidin-2-one;hydrochloride?
The IUPAC name of (3S)-3-amino-1-[(4-aminoquinazolin-7-yl)methyl]pyrrolidin-2-one;hydrochloride (CID 20680716) is (3S)-3-amino-1-[(4-aminoquinazolin-7-yl)methyl]pyrrolidin-2-one;hydrochloride.
What is the SMILES notation for (3S)-3-amino-1-[(4-aminoquinazolin-7-yl)methyl]pyrrolidin-2-one;hydrochloride?
The canonical SMILES for (3S)-3-amino-1-[(4-aminoquinazolin-7-yl)methyl]pyrrolidin-2-one;hydrochloride is Cl.Nc1ncnc2cc(CN3CC[C@H](N)C3=O)ccc12.
What is the InChIKey of (3S)-3-amino-1-[(4-aminoquinazolin-7-yl)methyl]pyrrolidin-2-one;hydrochloride?
The InChIKey is KXKIUTLBIVSBMH-PPHPATTJSA-N. The full InChI is InChI=1S/C13H15N5O.ClH/c14-10-3-4-18(13(10)19)6-8-1-2-9-11(5-8)16-7-17-12(9)15;/h1-2,5,7,10H,3-4,6,14H2,(H2,15,16,17);1H/t10-;/m0./s1.
What are the key properties of (3S)-3-amino-1-[(4-aminoquinazolin-7-yl)methyl]pyrrolidin-2-one;hydrochloride?
(3S)-3-amino-1-[(4-aminoquinazolin-7-yl)methyl]pyrrolidin-2-one;hydrochloride has a molecular weight of 293.76 g/mol, XLogP of 0.69, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-1-[(4-aminoquinazolin-7-yl)methyl]pyrrolidin-2-one;hydrochloride is sourced from PubChem (CID 20680716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).