(2S,4S)-4-amino-N-ethyl-1-(3-methyl-4-oxoquinazoline-7-carbonyl)pyrrolidine-2-carboxamide

C17H21N5O3 — CID 70729975

IUPAC(2S,4S)-4-amino-N-ethyl-1-(3-methyl-4-oxoquinazoline-7-carbonyl)pyrrolidine-2-carboxamide
SMILESCCNC(=O)[C@@H]1C[C@H](N)CN1C(=O)c1ccc2c(=O)n(C)cnc2c1
InChIInChI=1S/C17H21N5O3/c1-3-19-15(23)14-7-11(18)8-22(14)16(24)10-4-5-12-13(6-10)20-9-21(2)17(12)25/h4-6,9,11,14H,3,7-8,18H2,1-2H3,(H,19,23)/t11-,14-/m0/s1
InChIKeyFFFPUIRWRLTRGO-FZMZJTMJSA-N
MW343.39 g/mol
LogP-0.39
Rot. Bonds3

About (2S,4S)-4-amino-N-ethyl-1-(3-methyl-4-oxoquinazoline-7-carbonyl)pyrrolidine-2-carboxamide

(2S,4S)-4-amino-N-ethyl-1-(3-methyl-4-oxoquinazoline-7-carbonyl)pyrrolidine-2-carboxamide (PubChem CID 70729975) has the molecular formula C17H21N5O3 and a molecular weight of 343.39 g/mol. Its IUPAC name is (2S,4S)-4-amino-N-ethyl-1-(3-methyl-4-oxoquinazoline-7-carbonyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-4-amino-N-ethyl-1-(3-methyl-4-oxoquinazoline-7-carbonyl)pyrrolidine-2-carboxamide
PubChem CID70729975
Molecular FormulaC17H21N5O3
Molecular Weight343.39 g/mol
Exact Mass343.16
IUPAC Name(2S,4S)-4-amino-N-ethyl-1-(3-methyl-4-oxoquinazoline-7-carbonyl)pyrrolidine-2-carboxamide
SMILESCCNC(=O)[C@@H]1C[C@H](N)CN1C(=O)c1ccc2c(=O)n(C)cnc2c1
InChIInChI=1S/C17H21N5O3/c1-3-19-15(23)14-7-11(18)8-22(14)16(24)10-4-5-12-13(6-10)20-9-21(2)17(12)25/h4-6,9,11,14H,3,7-8,18H2,1-2H3,(H,19,23)/t11-,14-/m0/s1
InChIKeyFFFPUIRWRLTRGO-FZMZJTMJSA-N
XLogP-0.39
TPSA110.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-amino-N-ethyl-1-(3-methyl-4-oxoquinazoline-7-carbonyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-4-amino-N-ethyl-1-(3-methyl-4-oxoquinazoline-7-carbonyl)pyrrolidine-2-carboxamide (CID 70729975) is (2S,4S)-4-amino-N-ethyl-1-(3-methyl-4-oxoquinazoline-7-carbonyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-4-amino-N-ethyl-1-(3-methyl-4-oxoquinazoline-7-carbonyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-4-amino-N-ethyl-1-(3-methyl-4-oxoquinazoline-7-carbonyl)pyrrolidine-2-carboxamide is CCNC(=O)[C@@H]1C[C@H](N)CN1C(=O)c1ccc2c(=O)n(C)cnc2c1.
What is the InChIKey of (2S,4S)-4-amino-N-ethyl-1-(3-methyl-4-oxoquinazoline-7-carbonyl)pyrrolidine-2-carboxamide?
The InChIKey is FFFPUIRWRLTRGO-FZMZJTMJSA-N. The full InChI is InChI=1S/C17H21N5O3/c1-3-19-15(23)14-7-11(18)8-22(14)16(24)10-4-5-12-13(6-10)20-9-21(2)17(12)25/h4-6,9,11,14H,3,7-8,18H2,1-2H3,(H,19,23)/t11-,14-/m0/s1.
What are the key properties of (2S,4S)-4-amino-N-ethyl-1-(3-methyl-4-oxoquinazoline-7-carbonyl)pyrrolidine-2-carboxamide?
(2S,4S)-4-amino-N-ethyl-1-(3-methyl-4-oxoquinazoline-7-carbonyl)pyrrolidine-2-carboxamide has a molecular weight of 343.39 g/mol, XLogP of -0.39, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-amino-N-ethyl-1-(3-methyl-4-oxoquinazoline-7-carbonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 70729975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).