N-[4-[[4-(7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-ylamino)phenyl]methyl]phenyl]-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine

C41H40N4 — CID 72735103

IUPACN-[4-[[4-(7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-ylamino)phenyl]methyl]phenyl]-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine
SMILESc1ccc2c(Nc3ccc(Cc4ccc(Nc5c6c(nc7ccccc57)CCCCC6)cc4)cc3)c3c(nc2c1)CCCCC3
InChIInChI=1S/C41H40N4/c1-3-11-32-36(15-5-1)44-38-17-9-7-13-34(38)40(32)42-30-23-19-28(20-24-30)27-29-21-25-31(26-22-29)43-41-33-12-4-2-6-16-37(33)45-39-18-10-8-14-35(39)41/h7-10,13-14,17-26H,1-6,11-12,15-16,27H2,(H,42,44)(H,43,45)
InChIKeyBAEVDLPNMYVFNV-UHFFFAOYSA-N
MW588.80 g/mol
LogP10.40
Rot. Bonds6

About N-[4-[[4-(7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-ylamino)phenyl]methyl]phenyl]-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine

N-[4-[[4-(7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-ylamino)phenyl]methyl]phenyl]-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine (PubChem CID 72735103) has the molecular formula C41H40N4 and a molecular weight of 588.80 g/mol. Its IUPAC name is N-[4-[[4-(7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-ylamino)phenyl]methyl]phenyl]-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine.

Molecular Properties

Compound NameN-[4-[[4-(7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-ylamino)phenyl]methyl]phenyl]-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine
PubChem CID72735103
Molecular FormulaC41H40N4
Molecular Weight588.80 g/mol
Exact Mass588.33
IUPAC NameN-[4-[[4-(7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-ylamino)phenyl]methyl]phenyl]-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine
SMILESc1ccc2c(Nc3ccc(Cc4ccc(Nc5c6c(nc7ccccc57)CCCCC6)cc4)cc3)c3c(nc2c1)CCCCC3
InChIInChI=1S/C41H40N4/c1-3-11-32-36(15-5-1)44-38-17-9-7-13-34(38)40(32)42-30-23-19-28(20-24-30)27-29-21-25-31(26-22-29)43-41-33-12-4-2-6-16-37(33)45-39-18-10-8-14-35(39)41/h7-10,13-14,17-26H,1-6,11-12,15-16,27H2,(H,42,44)(H,43,45)
InChIKeyBAEVDLPNMYVFNV-UHFFFAOYSA-N
XLogP10.40
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.80
LogP ≤ 510.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-[[4-(7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-ylamino)phenyl]methyl]phenyl]-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine with MolForge

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Related Compounds

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CID 134912890
N-(4-morpholin-4-ylphenyl)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
CID 110435252
N-(3-chloro-4-fluorophenyl)-1,2,3,4-tetrahydroacridin-9-amine
CID 3658778
N,N'-bis(1,2,3,4-tetrahydroacridin-9-yl)decane-1,10-diamine;dihydrochloride
CID 23644646
N-phenyl-N'-(1,2,3,4-tetrahydroacridin-9-yl)dodecane-1,12-diamine
CID 46889316
N-butyl-6,7,8,9,10,11-hexahydrocycloocta[b]quinolin-12-amine;hydrochloride
CID 24837218
N,N'-bis(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)hexane-1,6-diamine
CID 15490813
N-(7-phenylheptyl)-1,2,3,4-tetrahydroacridin-9-amine
CID 10761844
N-propyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
CID 62202711
N-but-3-ynyl-1,2,3,4-tetrahydroacridin-9-amine
CID 101166036
N',N'-dimethyl-N-(7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-yl)propane-1,3-diamine
CID 29298

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-(7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-ylamino)phenyl]methyl]phenyl]-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine?
The IUPAC name of N-[4-[[4-(7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-ylamino)phenyl]methyl]phenyl]-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine (CID 72735103) is N-[4-[[4-(7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-ylamino)phenyl]methyl]phenyl]-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine.
What is the SMILES notation for N-[4-[[4-(7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-ylamino)phenyl]methyl]phenyl]-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine?
The canonical SMILES for N-[4-[[4-(7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-ylamino)phenyl]methyl]phenyl]-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine is c1ccc2c(Nc3ccc(Cc4ccc(Nc5c6c(nc7ccccc57)CCCCC6)cc4)cc3)c3c(nc2c1)CCCCC3.
What is the InChIKey of N-[4-[[4-(7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-ylamino)phenyl]methyl]phenyl]-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine?
The InChIKey is BAEVDLPNMYVFNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H40N4/c1-3-11-32-36(15-5-1)44-38-17-9-7-13-34(38)40(32)42-30-23-19-28(20-24-30)27-29-21-25-31(26-22-29)43-41-33-12-4-2-6-16-37(33)45-39-18-10-8-14-35(39)41/h7-10,13-14,17-26H,1-6,11-12,15-16,27H2,(H,42,44)(H,43,45).
What are the key properties of N-[4-[[4-(7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-ylamino)phenyl]methyl]phenyl]-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine?
N-[4-[[4-(7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-ylamino)phenyl]methyl]phenyl]-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine has a molecular weight of 588.80 g/mol, XLogP of 10.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-(7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-ylamino)phenyl]methyl]phenyl]-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine is sourced from PubChem (CID 72735103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).