N-[4-[11-(3-aminopyrrolidin-1-yl)-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-2-yl]-2-pyridinyl]cyclohexanecarboxamide;hydrochloride

C30H38ClN5O — CID 175474518

IUPACN-[4-[11-(3-aminopyrrolidin-1-yl)-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-2-yl]-2-pyridinyl]cyclohexanecarboxamide;hydrochloride
SMILESCl.NC1CCN(c2c3c(nc4ccc(-c5ccnc(NC(=O)C6CCCCC6)c5)cc24)CCCCC3)C1
InChIInChI=1S/C30H37N5O.ClH/c31-23-14-16-35(19-23)29-24-9-5-2-6-10-26(24)33-27-12-11-21(17-25(27)29)22-13-15-32-28(18-22)34-30(36)20-7-3-1-4-8-20;/h11-13,15,17-18,20,23H,1-10,14,16,19,31H2,(H,32,34,36);1H
InChIKeyULQWQACBLAPXHH-UHFFFAOYSA-N
MW520.12 g/mol
LogP6.04
Rot. Bonds4

About N-[4-[11-(3-aminopyrrolidin-1-yl)-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-2-yl]-2-pyridinyl]cyclohexanecarboxamide;hydrochloride

N-[4-[11-(3-aminopyrrolidin-1-yl)-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-2-yl]-2-pyridinyl]cyclohexanecarboxamide;hydrochloride (PubChem CID 175474518) has the molecular formula C30H38ClN5O and a molecular weight of 520.12 g/mol. Its IUPAC name is N-[4-[11-(3-aminopyrrolidin-1-yl)-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-2-yl]-2-pyridinyl]cyclohexanecarboxamide;hydrochloride.

Molecular Properties

Compound NameN-[4-[11-(3-aminopyrrolidin-1-yl)-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-2-yl]-2-pyridinyl]cyclohexanecarboxamide;hydrochloride
PubChem CID175474518
Molecular FormulaC30H38ClN5O
Molecular Weight520.12 g/mol
Exact Mass519.28
IUPAC NameN-[4-[11-(3-aminopyrrolidin-1-yl)-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-2-yl]-2-pyridinyl]cyclohexanecarboxamide;hydrochloride
SMILESCl.NC1CCN(c2c3c(nc4ccc(-c5ccnc(NC(=O)C6CCCCC6)c5)cc24)CCCCC3)C1
InChIInChI=1S/C30H37N5O.ClH/c31-23-14-16-35(19-23)29-24-9-5-2-6-10-26(24)33-27-12-11-21(17-25(27)29)22-13-15-32-28(18-22)34-30(36)20-7-3-1-4-8-20;/h11-13,15,17-18,20,23H,1-10,14,16,19,31H2,(H,32,34,36);1H
InChIKeyULQWQACBLAPXHH-UHFFFAOYSA-N
XLogP6.04
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.12
LogP ≤ 56.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-[11-(3-aminopyrrolidin-1-yl)-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-2-yl]-2-pyridinyl]cyclohexanecarboxamide;hydrochloride with MolForge

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Related Compounds

N-[4-[9-[(3S)-3-aminopyrrolidin-1-yl]-5,6,7,8-tetrahydroacridin-2-yl]-2-pyridinyl]cyclohexanecarboxamide;hydrochloride
CID 175299318
N-[4-[11-(3-aminopyrrolidin-1-yl)-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-2-yl]-2-pyridinyl]cyclopentanecarboxamide
CID 175474511
N-[4-[9-[(3S)-3-aminopyrrolidin-1-yl]-5,6,7,8-tetrahydroacridin-2-yl]-2-pyridinyl]cyclopropanecarboxamide;hydrochloride
CID 163409191
N-[4-[9-[(3S)-3-aminopiperidin-1-yl]-5,6,7,8-tetrahydroacridin-2-yl]-2-pyridinyl]cyclopropanecarboxamide;hydrochloride
CID 175379458
N-[4-[9-[(3S)-3-aminopyrrolidin-1-yl]-5,6,7,8-tetrahydroacridin-2-yl]-2-pyridinyl]acetamide
CID 175299307
N-[4-[9-[(3S)-3-aminopyrrolidin-1-yl]-5,6,7,8-tetrahydroacridin-2-yl]-2-pyridinyl]benzamide;hydrochloride
CID 175299332
(3S)-1-(7-pyridin-4-yl-1,2,3,4-tetrahydroacridin-9-yl)pyrrolidin-3-amine
CID 175429815
1-[4-[9-[(3R)-3-aminopyrrolidin-1-yl]-5,6,7,8-tetrahydroacridin-2-yl]-2-pyridinyl]cyclopropane-1-carboxamide
CID 175299384
(3S)-1-(7-phenyl-1,2,3,4-tetrahydroacridin-9-yl)pyrrolidin-3-amine
CID 175429789
1-(7-pyridin-3-yl-1,2,3,4-tetrahydroacridin-9-yl)pyrrolidin-3-amine
CID 175776998
N-[4-(5-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)-2-pyridinyl]cyclopropanecarboxamide;hydrochloride
CID 155288307
9-(4-carboxypiperidin-1-yl)-2,3-dihydro-1H-cyclopenta[b]quinoline-7-carboxylic acid
CID 7138219

Frequently Asked Questions

What is the IUPAC name of N-[4-[11-(3-aminopyrrolidin-1-yl)-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-2-yl]-2-pyridinyl]cyclohexanecarboxamide;hydrochloride?
The IUPAC name of N-[4-[11-(3-aminopyrrolidin-1-yl)-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-2-yl]-2-pyridinyl]cyclohexanecarboxamide;hydrochloride (CID 175474518) is N-[4-[11-(3-aminopyrrolidin-1-yl)-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-2-yl]-2-pyridinyl]cyclohexanecarboxamide;hydrochloride.
What is the SMILES notation for N-[4-[11-(3-aminopyrrolidin-1-yl)-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-2-yl]-2-pyridinyl]cyclohexanecarboxamide;hydrochloride?
The canonical SMILES for N-[4-[11-(3-aminopyrrolidin-1-yl)-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-2-yl]-2-pyridinyl]cyclohexanecarboxamide;hydrochloride is Cl.NC1CCN(c2c3c(nc4ccc(-c5ccnc(NC(=O)C6CCCCC6)c5)cc24)CCCCC3)C1.
What is the InChIKey of N-[4-[11-(3-aminopyrrolidin-1-yl)-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-2-yl]-2-pyridinyl]cyclohexanecarboxamide;hydrochloride?
The InChIKey is ULQWQACBLAPXHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37N5O.ClH/c31-23-14-16-35(19-23)29-24-9-5-2-6-10-26(24)33-27-12-11-21(17-25(27)29)22-13-15-32-28(18-22)34-30(36)20-7-3-1-4-8-20;/h11-13,15,17-18,20,23H,1-10,14,16,19,31H2,(H,32,34,36);1H.
What are the key properties of N-[4-[11-(3-aminopyrrolidin-1-yl)-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-2-yl]-2-pyridinyl]cyclohexanecarboxamide;hydrochloride?
N-[4-[11-(3-aminopyrrolidin-1-yl)-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-2-yl]-2-pyridinyl]cyclohexanecarboxamide;hydrochloride has a molecular weight of 520.12 g/mol, XLogP of 6.04, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[11-(3-aminopyrrolidin-1-yl)-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-2-yl]-2-pyridinyl]cyclohexanecarboxamide;hydrochloride is sourced from PubChem (CID 175474518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).