5-(4-methoxyphenyl)-2-pyridin-3-yl-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-amine

C23H21N5O — CID 25233089

IUPAC5-(4-methoxyphenyl)-2-pyridin-3-yl-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-amine
SMILESCOc1ccc(-c2c3c(nc4nc(-c5cccnc5)nc(N)c24)CCCC3)cc1
InChIInChI=1S/C23H21N5O/c1-29-16-10-8-14(9-11-16)19-17-6-2-3-7-18(17)26-23-20(19)21(24)27-22(28-23)15-5-4-12-25-13-15/h4-5,8-13H,2-3,6-7H2,1H3,(H2,24,26,27,28)
InChIKeyZAUXHCABDYUSPK-UHFFFAOYSA-N
MW383.46 g/mol
LogP4.22
Rot. Bonds3

About 5-(4-methoxyphenyl)-2-pyridin-3-yl-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-amine

5-(4-methoxyphenyl)-2-pyridin-3-yl-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-amine (PubChem CID 25233089) has the molecular formula C23H21N5O and a molecular weight of 383.46 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-2-pyridin-3-yl-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-amine.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-2-pyridin-3-yl-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-amine
PubChem CID25233089
Molecular FormulaC23H21N5O
Molecular Weight383.46 g/mol
Exact Mass383.17
IUPAC Name5-(4-methoxyphenyl)-2-pyridin-3-yl-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-amine
SMILESCOc1ccc(-c2c3c(nc4nc(-c5cccnc5)nc(N)c24)CCCC3)cc1
InChIInChI=1S/C23H21N5O/c1-29-16-10-8-14(9-11-16)19-17-6-2-3-7-18(17)26-23-20(19)21(24)27-22(28-23)15-5-4-12-25-13-15/h4-5,8-13H,2-3,6-7H2,1H3,(H2,24,26,27,28)
InChIKeyZAUXHCABDYUSPK-UHFFFAOYSA-N
XLogP4.22
TPSA86.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.46
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-2-pyridin-3-yl-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-amine?
The IUPAC name of 5-(4-methoxyphenyl)-2-pyridin-3-yl-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-amine (CID 25233089) is 5-(4-methoxyphenyl)-2-pyridin-3-yl-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-amine.
What is the SMILES notation for 5-(4-methoxyphenyl)-2-pyridin-3-yl-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-amine?
The canonical SMILES for 5-(4-methoxyphenyl)-2-pyridin-3-yl-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-amine is COc1ccc(-c2c3c(nc4nc(-c5cccnc5)nc(N)c24)CCCC3)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-2-pyridin-3-yl-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-amine?
The InChIKey is ZAUXHCABDYUSPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O/c1-29-16-10-8-14(9-11-16)19-17-6-2-3-7-18(17)26-23-20(19)21(24)27-22(28-23)15-5-4-12-25-13-15/h4-5,8-13H,2-3,6-7H2,1H3,(H2,24,26,27,28).
What are the key properties of 5-(4-methoxyphenyl)-2-pyridin-3-yl-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-amine?
5-(4-methoxyphenyl)-2-pyridin-3-yl-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-amine has a molecular weight of 383.46 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-2-pyridin-3-yl-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-amine is sourced from PubChem (CID 25233089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).