5-(2,4-dimethoxyphenyl)-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-amine

C19H20N4O2 — CID 19257093

IUPAC5-(2,4-dimethoxyphenyl)-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-amine
SMILESCOc1ccc(-c2c3c(nc4ncnc(N)c24)CCCC3)c(OC)c1
InChIInChI=1S/C19H20N4O2/c1-24-11-7-8-13(15(9-11)25-2)16-12-5-3-4-6-14(12)23-19-17(16)18(20)21-10-22-19/h7-10H,3-6H2,1-2H3,(H2,20,21,22,23)
InChIKeyGGQZEQNPINXBKD-UHFFFAOYSA-N
MW336.40 g/mol
LogP3.17
Rot. Bonds3

About 5-(2,4-dimethoxyphenyl)-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-amine

5-(2,4-dimethoxyphenyl)-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-amine (PubChem CID 19257093) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 5-(2,4-dimethoxyphenyl)-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-amine.

Molecular Properties

Compound Name5-(2,4-dimethoxyphenyl)-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-amine
PubChem CID19257093
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name5-(2,4-dimethoxyphenyl)-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-amine
SMILESCOc1ccc(-c2c3c(nc4ncnc(N)c24)CCCC3)c(OC)c1
InChIInChI=1S/C19H20N4O2/c1-24-11-7-8-13(15(9-11)25-2)16-12-5-3-4-6-14(12)23-19-17(16)18(20)21-10-22-19/h7-10H,3-6H2,1-2H3,(H2,20,21,22,23)
InChIKeyGGQZEQNPINXBKD-UHFFFAOYSA-N
XLogP3.17
TPSA83.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-4-(2,5-dimethoxyphenyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile
CID 5156796
3-amino-4-(2,5-dimethoxyphenyl)-N-phenyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
CID 139210820
5-(4-methoxyphenyl)-2-pyridin-3-yl-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-amine
CID 25233089
9-(4-methoxyphenyl)-2-pyrrolidin-1-yl-5,6,7,8-tetrahydro-[1,3]thiazolo[4,5-b]quinoline
CID 118467811
4-(4-methoxyphenyl)-3-(methyliminomethyl)-5,6,7,8-tetrahydroquinolin-2-amine
CID 142908581
5-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yloxy)-2-methoxyaniline
CID 103201955
7-(3-methoxyphenyl)-5-(2,3,4-trimethoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine
CID 19257027
7-(2,5-dimethoxyphenyl)-5-(4-ethoxy-3-methoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine
CID 19257056
2-amino-4-(3-methoxyphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 4635461
7-(3,4-dimethoxyphenyl)-5-(3-methoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine
CID 19256900
6,9-dimethoxy-1,2,3,4-tetrahydroacridine
CID 71019681
4-(2,4-dimethoxyphenyl)pyrimidin-2-amine
CID 39733899

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dimethoxyphenyl)-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-amine?
The IUPAC name of 5-(2,4-dimethoxyphenyl)-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-amine (CID 19257093) is 5-(2,4-dimethoxyphenyl)-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-amine.
What is the SMILES notation for 5-(2,4-dimethoxyphenyl)-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-amine?
The canonical SMILES for 5-(2,4-dimethoxyphenyl)-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-amine is COc1ccc(-c2c3c(nc4ncnc(N)c24)CCCC3)c(OC)c1.
What is the InChIKey of 5-(2,4-dimethoxyphenyl)-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-amine?
The InChIKey is GGQZEQNPINXBKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-24-11-7-8-13(15(9-11)25-2)16-12-5-3-4-6-14(12)23-19-17(16)18(20)21-10-22-19/h7-10H,3-6H2,1-2H3,(H2,20,21,22,23).
What are the key properties of 5-(2,4-dimethoxyphenyl)-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-amine?
5-(2,4-dimethoxyphenyl)-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-amine has a molecular weight of 336.40 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dimethoxyphenyl)-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-amine is sourced from PubChem (CID 19257093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).