4-[(2S)-2-[(S)-cyclopropyl(methoxy)methyl]pyrrolidin-1-yl]-2-methyl-N-pyridin-3-ylquinolin-7-amine

C24H28N4O — CID 174465224

IUPAC4-[(2S)-2-[(S)-cyclopropyl(methoxy)methyl]pyrrolidin-1-yl]-2-methyl-N-pyridin-3-ylquinolin-7-amine
SMILESCO[C@@H](C1CC1)[C@@H]1CCCN1c1cc(C)nc2cc(Nc3cccnc3)ccc12
InChIInChI=1S/C24H28N4O/c1-16-13-23(28-12-4-6-22(28)24(29-2)17-7-8-17)20-10-9-18(14-21(20)26-16)27-19-5-3-11-25-15-19/h3,5,9-11,13-15,17,22,24,27H,4,6-8,12H2,1-2H3/t22-,24-/m0/s1
InChIKeyYXAJVZVCNCABKJ-UPVQGACJSA-N
MW388.52 g/mol
LogP5.08
Rot. Bonds6

About 4-[(2S)-2-[(S)-cyclopropyl(methoxy)methyl]pyrrolidin-1-yl]-2-methyl-N-pyridin-3-ylquinolin-7-amine

4-[(2S)-2-[(S)-cyclopropyl(methoxy)methyl]pyrrolidin-1-yl]-2-methyl-N-pyridin-3-ylquinolin-7-amine (PubChem CID 174465224) has the molecular formula C24H28N4O and a molecular weight of 388.52 g/mol. Its IUPAC name is 4-[(2S)-2-[(S)-cyclopropyl(methoxy)methyl]pyrrolidin-1-yl]-2-methyl-N-pyridin-3-ylquinolin-7-amine.

Molecular Properties

Compound Name4-[(2S)-2-[(S)-cyclopropyl(methoxy)methyl]pyrrolidin-1-yl]-2-methyl-N-pyridin-3-ylquinolin-7-amine
PubChem CID174465224
Molecular FormulaC24H28N4O
Molecular Weight388.52 g/mol
Exact Mass388.23
IUPAC Name4-[(2S)-2-[(S)-cyclopropyl(methoxy)methyl]pyrrolidin-1-yl]-2-methyl-N-pyridin-3-ylquinolin-7-amine
SMILESCO[C@@H](C1CC1)[C@@H]1CCCN1c1cc(C)nc2cc(Nc3cccnc3)ccc12
InChIInChI=1S/C24H28N4O/c1-16-13-23(28-12-4-6-22(28)24(29-2)17-7-8-17)20-10-9-18(14-21(20)26-16)27-19-5-3-11-25-15-19/h3,5,9-11,13-15,17,22,24,27H,4,6-8,12H2,1-2H3/t22-,24-/m0/s1
InChIKeyYXAJVZVCNCABKJ-UPVQGACJSA-N
XLogP5.08
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.52
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-2-[(S)-cyclopropyl(methoxy)methyl]pyrrolidin-1-yl]-2-methyl-N-pyridin-3-ylquinolin-7-amine?
The IUPAC name of 4-[(2S)-2-[(S)-cyclopropyl(methoxy)methyl]pyrrolidin-1-yl]-2-methyl-N-pyridin-3-ylquinolin-7-amine (CID 174465224) is 4-[(2S)-2-[(S)-cyclopropyl(methoxy)methyl]pyrrolidin-1-yl]-2-methyl-N-pyridin-3-ylquinolin-7-amine.
What is the SMILES notation for 4-[(2S)-2-[(S)-cyclopropyl(methoxy)methyl]pyrrolidin-1-yl]-2-methyl-N-pyridin-3-ylquinolin-7-amine?
The canonical SMILES for 4-[(2S)-2-[(S)-cyclopropyl(methoxy)methyl]pyrrolidin-1-yl]-2-methyl-N-pyridin-3-ylquinolin-7-amine is CO[C@@H](C1CC1)[C@@H]1CCCN1c1cc(C)nc2cc(Nc3cccnc3)ccc12.
What is the InChIKey of 4-[(2S)-2-[(S)-cyclopropyl(methoxy)methyl]pyrrolidin-1-yl]-2-methyl-N-pyridin-3-ylquinolin-7-amine?
The InChIKey is YXAJVZVCNCABKJ-UPVQGACJSA-N. The full InChI is InChI=1S/C24H28N4O/c1-16-13-23(28-12-4-6-22(28)24(29-2)17-7-8-17)20-10-9-18(14-21(20)26-16)27-19-5-3-11-25-15-19/h3,5,9-11,13-15,17,22,24,27H,4,6-8,12H2,1-2H3/t22-,24-/m0/s1.
What are the key properties of 4-[(2S)-2-[(S)-cyclopropyl(methoxy)methyl]pyrrolidin-1-yl]-2-methyl-N-pyridin-3-ylquinolin-7-amine?
4-[(2S)-2-[(S)-cyclopropyl(methoxy)methyl]pyrrolidin-1-yl]-2-methyl-N-pyridin-3-ylquinolin-7-amine has a molecular weight of 388.52 g/mol, XLogP of 5.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-2-[(S)-cyclopropyl(methoxy)methyl]pyrrolidin-1-yl]-2-methyl-N-pyridin-3-ylquinolin-7-amine is sourced from PubChem (CID 174465224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).