N-[4-[8-(4-chlorophenyl)-2-imino-3-methylimidazo[4,5-c]quinolin-1-yl]-5-methyl-2-[(methylideneamino)methyl]phenyl]-N',N'-dimethylethane-1,2-diamine

C30H32ClN7 — CID 156533020

IUPACN-[4-[8-(4-chlorophenyl)-2-imino-3-methylimidazo[4,5-c]quinolin-1-yl]-5-methyl-2-[(methylideneamino)methyl]phenyl]-N',N'-dimethylethane-1,2-diamine
SMILES[H]/N=c1\n(C)c2cnc3ccc(-c4ccc(Cl)cc4)cc3c2n1-c1cc(CN=C)c(NCCN(C)C)cc1C
InChIInChI=1S/C30H32ClN7/c1-19-14-26(34-12-13-36(3)4)22(17-33-2)16-27(19)38-29-24-15-21(20-6-9-23(31)10-7-20)8-11-25(24)35-18-28(29)37(5)30(38)32/h6-11,14-16,18,32,34H,2,12-13,17H2,1,3-5H3/b32-30+
InChIKeyCMQOMLUDTHCSRU-NHQGMKOOSA-N
MW526.09 g/mol
LogP5.80
Rot. Bonds8

About N-[4-[8-(4-chlorophenyl)-2-imino-3-methylimidazo[4,5-c]quinolin-1-yl]-5-methyl-2-[(methylideneamino)methyl]phenyl]-N',N'-dimethylethane-1,2-diamine

N-[4-[8-(4-chlorophenyl)-2-imino-3-methylimidazo[4,5-c]quinolin-1-yl]-5-methyl-2-[(methylideneamino)methyl]phenyl]-N',N'-dimethylethane-1,2-diamine (PubChem CID 156533020) has the molecular formula C30H32ClN7 and a molecular weight of 526.09 g/mol. Its IUPAC name is N-[4-[8-(4-chlorophenyl)-2-imino-3-methylimidazo[4,5-c]quinolin-1-yl]-5-methyl-2-[(methylideneamino)methyl]phenyl]-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[4-[8-(4-chlorophenyl)-2-imino-3-methylimidazo[4,5-c]quinolin-1-yl]-5-methyl-2-[(methylideneamino)methyl]phenyl]-N',N'-dimethylethane-1,2-diamine
PubChem CID156533020
Molecular FormulaC30H32ClN7
Molecular Weight526.09 g/mol
Exact Mass525.24
IUPAC NameN-[4-[8-(4-chlorophenyl)-2-imino-3-methylimidazo[4,5-c]quinolin-1-yl]-5-methyl-2-[(methylideneamino)methyl]phenyl]-N',N'-dimethylethane-1,2-diamine
SMILES[H]/N=c1\n(C)c2cnc3ccc(-c4ccc(Cl)cc4)cc3c2n1-c1cc(CN=C)c(NCCN(C)C)cc1C
InChIInChI=1S/C30H32ClN7/c1-19-14-26(34-12-13-36(3)4)22(17-33-2)16-27(19)38-29-24-15-21(20-6-9-23(31)10-7-20)8-11-25(24)35-18-28(29)37(5)30(38)32/h6-11,14-16,18,32,34H,2,12-13,17H2,1,3-5H3/b32-30+
InChIKeyCMQOMLUDTHCSRU-NHQGMKOOSA-N
XLogP5.80
TPSA74.23 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.09
LogP ≤ 55.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[8-(4-chlorophenyl)-2-imino-3-methylimidazo[4,5-c]quinolin-1-yl]-5-methyl-2-[(methylideneamino)methyl]phenyl]-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-[4-[8-(4-chlorophenyl)-2-imino-3-methylimidazo[4,5-c]quinolin-1-yl]-5-methyl-2-[(methylideneamino)methyl]phenyl]-N',N'-dimethylethane-1,2-diamine (CID 156533020) is N-[4-[8-(4-chlorophenyl)-2-imino-3-methylimidazo[4,5-c]quinolin-1-yl]-5-methyl-2-[(methylideneamino)methyl]phenyl]-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-[4-[8-(4-chlorophenyl)-2-imino-3-methylimidazo[4,5-c]quinolin-1-yl]-5-methyl-2-[(methylideneamino)methyl]phenyl]-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-[4-[8-(4-chlorophenyl)-2-imino-3-methylimidazo[4,5-c]quinolin-1-yl]-5-methyl-2-[(methylideneamino)methyl]phenyl]-N',N'-dimethylethane-1,2-diamine is [H]/N=c1\n(C)c2cnc3ccc(-c4ccc(Cl)cc4)cc3c2n1-c1cc(CN=C)c(NCCN(C)C)cc1C.
What is the InChIKey of N-[4-[8-(4-chlorophenyl)-2-imino-3-methylimidazo[4,5-c]quinolin-1-yl]-5-methyl-2-[(methylideneamino)methyl]phenyl]-N',N'-dimethylethane-1,2-diamine?
The InChIKey is CMQOMLUDTHCSRU-NHQGMKOOSA-N. The full InChI is InChI=1S/C30H32ClN7/c1-19-14-26(34-12-13-36(3)4)22(17-33-2)16-27(19)38-29-24-15-21(20-6-9-23(31)10-7-20)8-11-25(24)35-18-28(29)37(5)30(38)32/h6-11,14-16,18,32,34H,2,12-13,17H2,1,3-5H3/b32-30+.
What are the key properties of N-[4-[8-(4-chlorophenyl)-2-imino-3-methylimidazo[4,5-c]quinolin-1-yl]-5-methyl-2-[(methylideneamino)methyl]phenyl]-N',N'-dimethylethane-1,2-diamine?
N-[4-[8-(4-chlorophenyl)-2-imino-3-methylimidazo[4,5-c]quinolin-1-yl]-5-methyl-2-[(methylideneamino)methyl]phenyl]-N',N'-dimethylethane-1,2-diamine has a molecular weight of 526.09 g/mol, XLogP of 5.80, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[8-(4-chlorophenyl)-2-imino-3-methylimidazo[4,5-c]quinolin-1-yl]-5-methyl-2-[(methylideneamino)methyl]phenyl]-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 156533020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).