N-(7-chloro-2-methoxybenzo[b][1,5]naphthyridin-10-yl)-N'-[3-(diethylamino)propyl]pyridine-3-carboximidamide

C26H29ClN6O — CID 118735504

IUPACN-(7-chloro-2-methoxybenzo[b][1,5]naphthyridin-10-yl)-N'-[3-(diethylamino)propyl]pyridine-3-carboximidamide
SMILESCCN(CC)CCC/N=C(/Nc1c2ccc(Cl)cc2nc2ccc(OC)nc12)c1cccnc1
InChIInChI=1S/C26H29ClN6O/c1-4-33(5-2)15-7-14-29-26(18-8-6-13-28-17-18)32-24-20-10-9-19(27)16-22(20)30-21-11-12-23(34-3)31-25(21)24/h6,8-13,16-17H,4-5,7,14-15H2,1-3H3,(H,29,30,32)
InChIKeyPPHMECSAEMXYTJ-UHFFFAOYSA-N
MW477.01 g/mol
LogP5.43
Rot. Bonds9

About N-(7-chloro-2-methoxybenzo[b][1,5]naphthyridin-10-yl)-N'-[3-(diethylamino)propyl]pyridine-3-carboximidamide

N-(7-chloro-2-methoxybenzo[b][1,5]naphthyridin-10-yl)-N'-[3-(diethylamino)propyl]pyridine-3-carboximidamide (PubChem CID 118735504) has the molecular formula C26H29ClN6O and a molecular weight of 477.01 g/mol. Its IUPAC name is N-(7-chloro-2-methoxybenzo[b][1,5]naphthyridin-10-yl)-N'-[3-(diethylamino)propyl]pyridine-3-carboximidamide.

Molecular Properties

Compound NameN-(7-chloro-2-methoxybenzo[b][1,5]naphthyridin-10-yl)-N'-[3-(diethylamino)propyl]pyridine-3-carboximidamide
PubChem CID118735504
Molecular FormulaC26H29ClN6O
Molecular Weight477.01 g/mol
Exact Mass476.21
IUPAC NameN-(7-chloro-2-methoxybenzo[b][1,5]naphthyridin-10-yl)-N'-[3-(diethylamino)propyl]pyridine-3-carboximidamide
SMILESCCN(CC)CCC/N=C(/Nc1c2ccc(Cl)cc2nc2ccc(OC)nc12)c1cccnc1
InChIInChI=1S/C26H29ClN6O/c1-4-33(5-2)15-7-14-29-26(18-8-6-13-28-17-18)32-24-20-10-9-19(27)16-22(20)30-21-11-12-23(34-3)31-25(21)24/h6,8-13,16-17H,4-5,7,14-15H2,1-3H3,(H,29,30,32)
InChIKeyPPHMECSAEMXYTJ-UHFFFAOYSA-N
XLogP5.43
TPSA75.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.01
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

6-chloro-2-methoxy-N-(3-pyridyl)acridin-9-amine
CID 408350
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1-[2-(4-chlorophenyl)ethyl]-N-(6-methoxy-1,5-naphthyridin-4-yl)piperidine-4-carboxamide
CID 122196526
Azacrin
CID 193196
N,N'-bis(7-chloro-2-methoxybenzo[b][1,5]naphthyridin-10-yl)octane-1,8-diamine
CID 13333822
N2-(3-chloro-4-methoxyphenyl)-N4-(quinolin-3-yl)pyrimidine-2,4-diamine
CID 20826930
N-[(4-chlorophenyl)-[4-(piperazin-1-ylmethyl)phenyl]methyl]-6-methoxy-quinolin-4-amine
CID 25003426
N1-(7-chloro-4-quinolyl)-N4-(6-methoxy-8-quinolyl)pentane-1,4-diamine
CID 56949516
2-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-4-N-(4-methoxyphenyl)pyrimidine-2,4-diamine
CID 117826054
2-N-[4-[(7-chloroquinolin-4-yl)amino]butyl]-4-N-(4-methoxyphenyl)pyrimidine-2,4-diamine
CID 117827310
2-N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-4-N-(4-methoxyphenyl)pyrimidine-2,4-diamine
CID 117827358
2-[3-[3-(6-Methoxy-3-pyridinyl)pyrazin-2-yl]azetidin-1-yl]quinoline
CID 58546779

Frequently Asked Questions

What is the IUPAC name of N-(7-chloro-2-methoxybenzo[b][1,5]naphthyridin-10-yl)-N'-[3-(diethylamino)propyl]pyridine-3-carboximidamide?
The IUPAC name of N-(7-chloro-2-methoxybenzo[b][1,5]naphthyridin-10-yl)-N'-[3-(diethylamino)propyl]pyridine-3-carboximidamide (CID 118735504) is N-(7-chloro-2-methoxybenzo[b][1,5]naphthyridin-10-yl)-N'-[3-(diethylamino)propyl]pyridine-3-carboximidamide.
What is the SMILES notation for N-(7-chloro-2-methoxybenzo[b][1,5]naphthyridin-10-yl)-N'-[3-(diethylamino)propyl]pyridine-3-carboximidamide?
The canonical SMILES for N-(7-chloro-2-methoxybenzo[b][1,5]naphthyridin-10-yl)-N'-[3-(diethylamino)propyl]pyridine-3-carboximidamide is CCN(CC)CCC/N=C(/Nc1c2ccc(Cl)cc2nc2ccc(OC)nc12)c1cccnc1.
What is the InChIKey of N-(7-chloro-2-methoxybenzo[b][1,5]naphthyridin-10-yl)-N'-[3-(diethylamino)propyl]pyridine-3-carboximidamide?
The InChIKey is PPHMECSAEMXYTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29ClN6O/c1-4-33(5-2)15-7-14-29-26(18-8-6-13-28-17-18)32-24-20-10-9-19(27)16-22(20)30-21-11-12-23(34-3)31-25(21)24/h6,8-13,16-17H,4-5,7,14-15H2,1-3H3,(H,29,30,32).
What are the key properties of N-(7-chloro-2-methoxybenzo[b][1,5]naphthyridin-10-yl)-N'-[3-(diethylamino)propyl]pyridine-3-carboximidamide?
N-(7-chloro-2-methoxybenzo[b][1,5]naphthyridin-10-yl)-N'-[3-(diethylamino)propyl]pyridine-3-carboximidamide has a molecular weight of 477.01 g/mol, XLogP of 5.43, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-chloro-2-methoxybenzo[b][1,5]naphthyridin-10-yl)-N'-[3-(diethylamino)propyl]pyridine-3-carboximidamide is sourced from PubChem (CID 118735504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).