N,N'-diethyl-N'-(7-methoxy-5,11-dimethyl-10H-pyrido[2,3-b]carbazol-4-yl)propane-1,3-diamine

C25H32N4O — CID 68563740

IUPACN,N'-diethyl-N'-(7-methoxy-5,11-dimethyl-10H-pyrido[2,3-b]carbazol-4-yl)propane-1,3-diamine
SMILESCCNCCCN(CC)c1ccnc2c(C)c3[nH]c4ccc(OC)cc4c3c(C)c12
InChIInChI=1S/C25H32N4O/c1-6-26-12-8-14-29(7-2)21-11-13-27-24-17(4)25-22(16(3)23(21)24)19-15-18(30-5)9-10-20(19)28-25/h9-11,13,15,26,28H,6-8,12,14H2,1-5H3
InChIKeyBSFJWKIAKNYEAO-UHFFFAOYSA-N
MW404.56 g/mol
LogP5.32
Rot. Bonds8

About N,N'-diethyl-N'-(7-methoxy-5,11-dimethyl-10H-pyrido[2,3-b]carbazol-4-yl)propane-1,3-diamine

N,N'-diethyl-N'-(7-methoxy-5,11-dimethyl-10H-pyrido[2,3-b]carbazol-4-yl)propane-1,3-diamine (PubChem CID 68563740) has the molecular formula C25H32N4O and a molecular weight of 404.56 g/mol. Its IUPAC name is N,N'-diethyl-N'-(7-methoxy-5,11-dimethyl-10H-pyrido[2,3-b]carbazol-4-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN,N'-diethyl-N'-(7-methoxy-5,11-dimethyl-10H-pyrido[2,3-b]carbazol-4-yl)propane-1,3-diamine
PubChem CID68563740
Molecular FormulaC25H32N4O
Molecular Weight404.56 g/mol
Exact Mass404.26
IUPAC NameN,N'-diethyl-N'-(7-methoxy-5,11-dimethyl-10H-pyrido[2,3-b]carbazol-4-yl)propane-1,3-diamine
SMILESCCNCCCN(CC)c1ccnc2c(C)c3[nH]c4ccc(OC)cc4c3c(C)c12
InChIInChI=1S/C25H32N4O/c1-6-26-12-8-14-29(7-2)21-11-13-27-24-17(4)25-22(16(3)23(21)24)19-15-18(30-5)9-10-20(19)28-25/h9-11,13,15,26,28H,6-8,12,14H2,1-5H3
InChIKeyBSFJWKIAKNYEAO-UHFFFAOYSA-N
XLogP5.32
TPSA53.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.56
LogP ≤ 55.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,9-dimethoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazole
CID 14476701
N-(8-methoxy-5H-pyrimido[5,4-b]indol-4-yl)-N',N'-dimethylpropane-1,3-diamine
CID 3799067
(Z)-but-2-enedioic acid;9-methoxy-5,11-dimethyl-N-propyl-6H-pyrido[4,3-b]carbazol-1-amine
CID 6439910
N-(6-methoxy-1,4-dimethyl-9H-carbazol-3-yl)-N-oxidohydroxylamine
CID 21142512
9-methoxy-N,5-dimethyl-6H-pyrido[4,3-b]carbazol-1-amine
CID 70887380
N',N'-diethyl-N-(7-methoxy-11-methyl-10H-pyrido[2,3-b]carbazol-1-ium-4-yl)propane-1,3-diamine
CID 123481535
2,6-bis[3-(ethylamino)propoxy]-10H-acridin-9-one
CID 57439670
N-ethyl-N'-(2-methyl-6,13,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaen-7-yl)propane-1,3-diamine
CID 3068864
2-[6-[(6-methoxy-4-methylquinolin-8-yl)amino]hexylamino]ethanol
CID 12618404
8-methoxy-N-[2-(2-methoxyphenyl)ethyl]-5H-pyrimido[5,4-b]indol-4-amine
CID 939389
3-(1H-benzimidazol-2-yl)-6-methoxy-1,4-dimethyl-9H-carbazole
CID 168554394
N-(8-ethoxy-5H-pyrimido[5,4-b]indol-4-yl)-N',N'-dimethylethane-1,2-diamine
CID 943137

Frequently Asked Questions

What is the IUPAC name of N,N'-diethyl-N'-(7-methoxy-5,11-dimethyl-10H-pyrido[2,3-b]carbazol-4-yl)propane-1,3-diamine?
The IUPAC name of N,N'-diethyl-N'-(7-methoxy-5,11-dimethyl-10H-pyrido[2,3-b]carbazol-4-yl)propane-1,3-diamine (CID 68563740) is N,N'-diethyl-N'-(7-methoxy-5,11-dimethyl-10H-pyrido[2,3-b]carbazol-4-yl)propane-1,3-diamine.
What is the SMILES notation for N,N'-diethyl-N'-(7-methoxy-5,11-dimethyl-10H-pyrido[2,3-b]carbazol-4-yl)propane-1,3-diamine?
The canonical SMILES for N,N'-diethyl-N'-(7-methoxy-5,11-dimethyl-10H-pyrido[2,3-b]carbazol-4-yl)propane-1,3-diamine is CCNCCCN(CC)c1ccnc2c(C)c3[nH]c4ccc(OC)cc4c3c(C)c12.
What is the InChIKey of N,N'-diethyl-N'-(7-methoxy-5,11-dimethyl-10H-pyrido[2,3-b]carbazol-4-yl)propane-1,3-diamine?
The InChIKey is BSFJWKIAKNYEAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O/c1-6-26-12-8-14-29(7-2)21-11-13-27-24-17(4)25-22(16(3)23(21)24)19-15-18(30-5)9-10-20(19)28-25/h9-11,13,15,26,28H,6-8,12,14H2,1-5H3.
What are the key properties of N,N'-diethyl-N'-(7-methoxy-5,11-dimethyl-10H-pyrido[2,3-b]carbazol-4-yl)propane-1,3-diamine?
N,N'-diethyl-N'-(7-methoxy-5,11-dimethyl-10H-pyrido[2,3-b]carbazol-4-yl)propane-1,3-diamine has a molecular weight of 404.56 g/mol, XLogP of 5.32, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-diethyl-N'-(7-methoxy-5,11-dimethyl-10H-pyrido[2,3-b]carbazol-4-yl)propane-1,3-diamine is sourced from PubChem (CID 68563740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).