4-[(2-chloro-5-methyl-6H-indolo[2,3-b]quinolin-11-ylidene)amino]-N,N-diethylpentan-1-amine

C25H31ClN4 — CID 135879750

IUPAC4-[(2-chloro-5-methyl-6H-indolo[2,3-b]quinolin-11-ylidene)amino]-N,N-diethylpentan-1-amine
SMILESCCN(CC)CCCC(C)/N=c1\c2cc(Cl)ccc2n(C)c2[nH]c3ccccc3c12
InChIInChI=1S/C25H31ClN4/c1-5-30(6-2)15-9-10-17(3)27-24-20-16-18(26)13-14-22(20)29(4)25-23(24)19-11-7-8-12-21(19)28-25/h7-8,11-14,16-17,28H,5-6,9-10,15H2,1-4H3/b27-24+
InChIKeyLTCWGMVLZNXLKJ-SOYKGTTHSA-N
MW423.00 g/mol
LogP5.88
Rot. Bonds7

About 4-[(2-chloro-5-methyl-6H-indolo[2,3-b]quinolin-11-ylidene)amino]-N,N-diethylpentan-1-amine

4-[(2-chloro-5-methyl-6H-indolo[2,3-b]quinolin-11-ylidene)amino]-N,N-diethylpentan-1-amine (PubChem CID 135879750) has the molecular formula C25H31ClN4 and a molecular weight of 423.00 g/mol. Its IUPAC name is 4-[(2-chloro-5-methyl-6H-indolo[2,3-b]quinolin-11-ylidene)amino]-N,N-diethylpentan-1-amine.

Molecular Properties

Compound Name4-[(2-chloro-5-methyl-6H-indolo[2,3-b]quinolin-11-ylidene)amino]-N,N-diethylpentan-1-amine
PubChem CID135879750
Molecular FormulaC25H31ClN4
Molecular Weight423.00 g/mol
Exact Mass422.22
IUPAC Name4-[(2-chloro-5-methyl-6H-indolo[2,3-b]quinolin-11-ylidene)amino]-N,N-diethylpentan-1-amine
SMILESCCN(CC)CCCC(C)/N=c1\c2cc(Cl)ccc2n(C)c2[nH]c3ccccc3c12
InChIInChI=1S/C25H31ClN4/c1-5-30(6-2)15-9-10-17(3)27-24-20-16-18(26)13-14-22(20)29(4)25-23(24)19-11-7-8-12-21(19)28-25/h7-8,11-14,16-17,28H,5-6,9-10,15H2,1-4H3/b27-24+
InChIKeyLTCWGMVLZNXLKJ-SOYKGTTHSA-N
XLogP5.88
TPSA36.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.00
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-chloro-5-methyl-6H-indolo[2,3-b]quinolin-11-ylidene)amino]-N,N-diethylpentan-1-amine?
The IUPAC name of 4-[(2-chloro-5-methyl-6H-indolo[2,3-b]quinolin-11-ylidene)amino]-N,N-diethylpentan-1-amine (CID 135879750) is 4-[(2-chloro-5-methyl-6H-indolo[2,3-b]quinolin-11-ylidene)amino]-N,N-diethylpentan-1-amine.
What is the SMILES notation for 4-[(2-chloro-5-methyl-6H-indolo[2,3-b]quinolin-11-ylidene)amino]-N,N-diethylpentan-1-amine?
The canonical SMILES for 4-[(2-chloro-5-methyl-6H-indolo[2,3-b]quinolin-11-ylidene)amino]-N,N-diethylpentan-1-amine is CCN(CC)CCCC(C)/N=c1\c2cc(Cl)ccc2n(C)c2[nH]c3ccccc3c12.
What is the InChIKey of 4-[(2-chloro-5-methyl-6H-indolo[2,3-b]quinolin-11-ylidene)amino]-N,N-diethylpentan-1-amine?
The InChIKey is LTCWGMVLZNXLKJ-SOYKGTTHSA-N. The full InChI is InChI=1S/C25H31ClN4/c1-5-30(6-2)15-9-10-17(3)27-24-20-16-18(26)13-14-22(20)29(4)25-23(24)19-11-7-8-12-21(19)28-25/h7-8,11-14,16-17,28H,5-6,9-10,15H2,1-4H3/b27-24+.
What are the key properties of 4-[(2-chloro-5-methyl-6H-indolo[2,3-b]quinolin-11-ylidene)amino]-N,N-diethylpentan-1-amine?
4-[(2-chloro-5-methyl-6H-indolo[2,3-b]quinolin-11-ylidene)amino]-N,N-diethylpentan-1-amine has a molecular weight of 423.00 g/mol, XLogP of 5.88, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chloro-5-methyl-6H-indolo[2,3-b]quinolin-11-ylidene)amino]-N,N-diethylpentan-1-amine is sourced from PubChem (CID 135879750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).