(2S,4S)-4-amino-1-(2-cyclopropylquinoline-4-carbonyl)-N-methylpyrrolidine-2-carboxamide

C19H22N4O2 — CID 56701446

IUPAC(2S,4S)-4-amino-1-(2-cyclopropylquinoline-4-carbonyl)-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)[C@@H]1C[C@H](N)CN1C(=O)c1cc(C2CC2)nc2ccccc12
InChIInChI=1S/C19H22N4O2/c1-21-18(24)17-8-12(20)10-23(17)19(25)14-9-16(11-6-7-11)22-15-5-3-2-4-13(14)15/h2-5,9,11-12,17H,6-8,10,20H2,1H3,(H,21,24)/t12-,17-/m0/s1
InChIKeyGJUXJKWDQRLDMF-SJCJKPOMSA-N
MW338.41 g/mol
LogP1.40
Rot. Bonds3

About (2S,4S)-4-amino-1-(2-cyclopropylquinoline-4-carbonyl)-N-methylpyrrolidine-2-carboxamide

(2S,4S)-4-amino-1-(2-cyclopropylquinoline-4-carbonyl)-N-methylpyrrolidine-2-carboxamide (PubChem CID 56701446) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is (2S,4S)-4-amino-1-(2-cyclopropylquinoline-4-carbonyl)-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-4-amino-1-(2-cyclopropylquinoline-4-carbonyl)-N-methylpyrrolidine-2-carboxamide
PubChem CID56701446
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name(2S,4S)-4-amino-1-(2-cyclopropylquinoline-4-carbonyl)-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)[C@@H]1C[C@H](N)CN1C(=O)c1cc(C2CC2)nc2ccccc12
InChIInChI=1S/C19H22N4O2/c1-21-18(24)17-8-12(20)10-23(17)19(25)14-9-16(11-6-7-11)22-15-5-3-2-4-13(14)15/h2-5,9,11-12,17H,6-8,10,20H2,1H3,(H,21,24)/t12-,17-/m0/s1
InChIKeyGJUXJKWDQRLDMF-SJCJKPOMSA-N
XLogP1.40
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-amino-1-(2-cyclopropylquinoline-4-carbonyl)-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-4-amino-1-(2-cyclopropylquinoline-4-carbonyl)-N-methylpyrrolidine-2-carboxamide (CID 56701446) is (2S,4S)-4-amino-1-(2-cyclopropylquinoline-4-carbonyl)-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-4-amino-1-(2-cyclopropylquinoline-4-carbonyl)-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-4-amino-1-(2-cyclopropylquinoline-4-carbonyl)-N-methylpyrrolidine-2-carboxamide is CNC(=O)[C@@H]1C[C@H](N)CN1C(=O)c1cc(C2CC2)nc2ccccc12.
What is the InChIKey of (2S,4S)-4-amino-1-(2-cyclopropylquinoline-4-carbonyl)-N-methylpyrrolidine-2-carboxamide?
The InChIKey is GJUXJKWDQRLDMF-SJCJKPOMSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-21-18(24)17-8-12(20)10-23(17)19(25)14-9-16(11-6-7-11)22-15-5-3-2-4-13(14)15/h2-5,9,11-12,17H,6-8,10,20H2,1H3,(H,21,24)/t12-,17-/m0/s1.
What are the key properties of (2S,4S)-4-amino-1-(2-cyclopropylquinoline-4-carbonyl)-N-methylpyrrolidine-2-carboxamide?
(2S,4S)-4-amino-1-(2-cyclopropylquinoline-4-carbonyl)-N-methylpyrrolidine-2-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-amino-1-(2-cyclopropylquinoline-4-carbonyl)-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 56701446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).