(5R)-2-piperidin-1-yl-5-pyridin-4-yl-3,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione

C21H23N5O2 — CID 135904412

IUPAC(5R)-2-piperidin-1-yl-5-pyridin-4-yl-3,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione
SMILESO=C1CCCC2=C1[C@@H](c1ccncc1)c1c(nc(N3CCCCC3)[nH]c1=O)N2
InChIInChI=1S/C21H23N5O2/c27-15-6-4-5-14-17(15)16(13-7-9-22-10-8-13)18-19(23-14)24-21(25-20(18)28)26-11-2-1-3-12-26/h7-10,16H,1-6,11-12H2,(H2,23,24,25,28)/t16-/m1/s1
InChIKeyFJZFEZUIEONNPV-MRXNPFEDSA-N
MW377.45 g/mol
LogP2.72
Rot. Bonds2

About (5R)-2-piperidin-1-yl-5-pyridin-4-yl-3,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione

(5R)-2-piperidin-1-yl-5-pyridin-4-yl-3,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione (PubChem CID 135904412) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is (5R)-2-piperidin-1-yl-5-pyridin-4-yl-3,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione.

Molecular Properties

Compound Name(5R)-2-piperidin-1-yl-5-pyridin-4-yl-3,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione
PubChem CID135904412
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC Name(5R)-2-piperidin-1-yl-5-pyridin-4-yl-3,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione
SMILESO=C1CCCC2=C1[C@@H](c1ccncc1)c1c(nc(N3CCCCC3)[nH]c1=O)N2
InChIInChI=1S/C21H23N5O2/c27-15-6-4-5-14-17(15)16(13-7-9-22-10-8-13)18-19(23-14)24-21(25-20(18)28)26-11-2-1-3-12-26/h7-10,16H,1-6,11-12H2,(H2,23,24,25,28)/t16-/m1/s1
InChIKeyFJZFEZUIEONNPV-MRXNPFEDSA-N
XLogP2.72
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (5R)-2-piperidin-1-yl-5-pyridin-4-yl-3,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione with MolForge

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Launch Full Analysis

Related Compounds

5-[4-(diethylamino)phenyl]-2-piperidin-1-yl-3,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione
CID 135659227
2-morpholin-4-yl-5-phenyl-3,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione
CID 135659208
(5S)-5-(4-methoxyphenyl)-2-morpholin-4-yl-3,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione
CID 135895023
(5R)-5-naphthalen-1-yl-2-piperidin-1-yl-3,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione
CID 135885321
5-naphthalen-1-yl-2-piperidin-1-yl-3,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione
CID 135659234
(5S)-5-naphthalen-1-yl-2-piperidin-1-yl-3,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione
CID 135885322
(5R)-5-(2,4-dichlorophenyl)-2-piperidin-1-yl-3,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione
CID 135904394
2-piperidin-1-yl-5-pyridin-4-yl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 135637680
(5R)-2-piperidin-1-yl-5-pyridin-4-yl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 137222416
(5S)-5-[(1S)-cyclohex-3-en-1-yl]-2-piperidin-1-yl-3,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione
CID 135885326
2-amino-5-(4-fluorophenyl)-3,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione
CID 135930675
2-(4-chlorophenyl)-6-piperidin-1-yl-5,7,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),3(8),6,11,13,15-hexaene-4,17-dione
CID 135629407

Frequently Asked Questions

What is the IUPAC name of (5R)-2-piperidin-1-yl-5-pyridin-4-yl-3,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione?
The IUPAC name of (5R)-2-piperidin-1-yl-5-pyridin-4-yl-3,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione (CID 135904412) is (5R)-2-piperidin-1-yl-5-pyridin-4-yl-3,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione.
What is the SMILES notation for (5R)-2-piperidin-1-yl-5-pyridin-4-yl-3,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione?
The canonical SMILES for (5R)-2-piperidin-1-yl-5-pyridin-4-yl-3,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione is O=C1CCCC2=C1[C@@H](c1ccncc1)c1c(nc(N3CCCCC3)[nH]c1=O)N2.
What is the InChIKey of (5R)-2-piperidin-1-yl-5-pyridin-4-yl-3,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione?
The InChIKey is FJZFEZUIEONNPV-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H23N5O2/c27-15-6-4-5-14-17(15)16(13-7-9-22-10-8-13)18-19(23-14)24-21(25-20(18)28)26-11-2-1-3-12-26/h7-10,16H,1-6,11-12H2,(H2,23,24,25,28)/t16-/m1/s1.
What are the key properties of (5R)-2-piperidin-1-yl-5-pyridin-4-yl-3,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione?
(5R)-2-piperidin-1-yl-5-pyridin-4-yl-3,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione has a molecular weight of 377.45 g/mol, XLogP of 2.72, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-piperidin-1-yl-5-pyridin-4-yl-3,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione is sourced from PubChem (CID 135904412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).