5-(3-chlorophenyl)-9-methoxy-8-(2-methoxyethoxy)pyrimido[5,4-c]quinoline-2,4-diamine

C21H20ClN5O3 — CID 69172538

IUPAC5-(3-chlorophenyl)-9-methoxy-8-(2-methoxyethoxy)pyrimido[5,4-c]quinoline-2,4-diamine
SMILESCOCCOc1cc2nc(-c3cccc(Cl)c3)c3c(N)nc(N)nc3c2cc1OC
InChIInChI=1S/C21H20ClN5O3/c1-28-6-7-30-16-10-14-13(9-15(16)29-2)19-17(20(23)27-21(24)26-19)18(25-14)11-4-3-5-12(22)8-11/h3-5,8-10H,6-7H2,1-2H3,(H4,23,24,26,27)
InChIKeyJCZHBZAJSLSSLV-UHFFFAOYSA-N
MW425.88 g/mol
LogP3.70
Rot. Bonds6

About 5-(3-chlorophenyl)-9-methoxy-8-(2-methoxyethoxy)pyrimido[5,4-c]quinoline-2,4-diamine

5-(3-chlorophenyl)-9-methoxy-8-(2-methoxyethoxy)pyrimido[5,4-c]quinoline-2,4-diamine (PubChem CID 69172538) has the molecular formula C21H20ClN5O3 and a molecular weight of 425.88 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-9-methoxy-8-(2-methoxyethoxy)pyrimido[5,4-c]quinoline-2,4-diamine.

Molecular Properties

Compound Name5-(3-chlorophenyl)-9-methoxy-8-(2-methoxyethoxy)pyrimido[5,4-c]quinoline-2,4-diamine
PubChem CID69172538
Molecular FormulaC21H20ClN5O3
Molecular Weight425.88 g/mol
Exact Mass425.13
IUPAC Name5-(3-chlorophenyl)-9-methoxy-8-(2-methoxyethoxy)pyrimido[5,4-c]quinoline-2,4-diamine
SMILESCOCCOc1cc2nc(-c3cccc(Cl)c3)c3c(N)nc(N)nc3c2cc1OC
InChIInChI=1S/C21H20ClN5O3/c1-28-6-7-30-16-10-14-13(9-15(16)29-2)19-17(20(23)27-21(24)26-19)18(25-14)11-4-3-5-12(22)8-11/h3-5,8-10H,6-7H2,1-2H3,(H4,23,24,26,27)
InChIKeyJCZHBZAJSLSSLV-UHFFFAOYSA-N
XLogP3.70
TPSA118.40 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.88
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

5-(2-methoxyethoxy)quinazoline-2,4-diamine
CID 11637233
4-(3-chlorophenyl)-7-[2-(2-methoxyethoxy)phenyl]thieno[2,3-d]pyridazine
CID 176700604
2-(3-chloro-4-phenoxyphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine
CID 175809737
4-(4-chlorophenyl)-6,7-dimethoxyquinazolin-2-amine
CID 22626608
4-(3-ethynylphenyl)-2-fluoro-6,7-bis(2-methoxyethoxy)quinazoline
CID 141376720
2-chloro-6-methoxy-7-(2-methoxyethoxy)quinoxaline
CID 142746011
2-[6-amino-2-(3-chlorophenyl)-5-(2-methoxyphenoxy)pyrimidin-4-yl]oxyethanol
CID 156704951
6-chloro-2-(3-chlorophenyl)-3-methoxypyridine
CID 174463483
6-chloro-4-[4-methoxy-3-(2-phenylethoxy)phenyl]quinazolin-2-amine
CID 15948809
6-(3-chlorophenyl)-5-(2-methoxyphenyl)-1,2,4-triazin-3-amine
CID 174665315
2-(3-aminophenyl)-N-(1H-indazol-5-yl)-6-methoxy-7-(2-methoxyethoxy)quinazolin-4-amine
CID 89271177
N-[3-[7-methoxy-6-(2-methoxyethoxy)cinnolin-4-yl]phenyl]acetamide
CID 59026374

Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-9-methoxy-8-(2-methoxyethoxy)pyrimido[5,4-c]quinoline-2,4-diamine?
The IUPAC name of 5-(3-chlorophenyl)-9-methoxy-8-(2-methoxyethoxy)pyrimido[5,4-c]quinoline-2,4-diamine (CID 69172538) is 5-(3-chlorophenyl)-9-methoxy-8-(2-methoxyethoxy)pyrimido[5,4-c]quinoline-2,4-diamine.
What is the SMILES notation for 5-(3-chlorophenyl)-9-methoxy-8-(2-methoxyethoxy)pyrimido[5,4-c]quinoline-2,4-diamine?
The canonical SMILES for 5-(3-chlorophenyl)-9-methoxy-8-(2-methoxyethoxy)pyrimido[5,4-c]quinoline-2,4-diamine is COCCOc1cc2nc(-c3cccc(Cl)c3)c3c(N)nc(N)nc3c2cc1OC.
What is the InChIKey of 5-(3-chlorophenyl)-9-methoxy-8-(2-methoxyethoxy)pyrimido[5,4-c]quinoline-2,4-diamine?
The InChIKey is JCZHBZAJSLSSLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN5O3/c1-28-6-7-30-16-10-14-13(9-15(16)29-2)19-17(20(23)27-21(24)26-19)18(25-14)11-4-3-5-12(22)8-11/h3-5,8-10H,6-7H2,1-2H3,(H4,23,24,26,27).
What are the key properties of 5-(3-chlorophenyl)-9-methoxy-8-(2-methoxyethoxy)pyrimido[5,4-c]quinoline-2,4-diamine?
5-(3-chlorophenyl)-9-methoxy-8-(2-methoxyethoxy)pyrimido[5,4-c]quinoline-2,4-diamine has a molecular weight of 425.88 g/mol, XLogP of 3.70, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-9-methoxy-8-(2-methoxyethoxy)pyrimido[5,4-c]quinoline-2,4-diamine is sourced from PubChem (CID 69172538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).