4-[7-chloro-2-[(2E,4Z)-hexa-2,4-dien-3-yl]pyrido[3,2-d]pyrimidin-4-yl]morpholine

C17H19ClN4O — CID 137483189

IUPAC4-[7-chloro-2-[(2E,4Z)-hexa-2,4-dien-3-yl]pyrido[3,2-d]pyrimidin-4-yl]morpholine
SMILESC/C=C\C(=C/C)c1nc(N2CCOCC2)c2ncc(Cl)cc2n1
InChIInChI=1S/C17H19ClN4O/c1-3-5-12(4-2)16-20-14-10-13(18)11-19-15(14)17(21-16)22-6-8-23-9-7-22/h3-5,10-11H,6-9H2,1-2H3/b5-3-,12-4+
InChIKeyALCCDQZUJVMPMG-BVEFSZSYSA-N
MW330.82 g/mol
LogP3.49
Rot. Bonds3

About 4-[7-chloro-2-[(2E,4Z)-hexa-2,4-dien-3-yl]pyrido[3,2-d]pyrimidin-4-yl]morpholine

4-[7-chloro-2-[(2E,4Z)-hexa-2,4-dien-3-yl]pyrido[3,2-d]pyrimidin-4-yl]morpholine (PubChem CID 137483189) has the molecular formula C17H19ClN4O and a molecular weight of 330.82 g/mol. Its IUPAC name is 4-[7-chloro-2-[(2E,4Z)-hexa-2,4-dien-3-yl]pyrido[3,2-d]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[7-chloro-2-[(2E,4Z)-hexa-2,4-dien-3-yl]pyrido[3,2-d]pyrimidin-4-yl]morpholine
PubChem CID137483189
Molecular FormulaC17H19ClN4O
Molecular Weight330.82 g/mol
Exact Mass330.12
IUPAC Name4-[7-chloro-2-[(2E,4Z)-hexa-2,4-dien-3-yl]pyrido[3,2-d]pyrimidin-4-yl]morpholine
SMILESC/C=C\C(=C/C)c1nc(N2CCOCC2)c2ncc(Cl)cc2n1
InChIInChI=1S/C17H19ClN4O/c1-3-5-12(4-2)16-20-14-10-13(18)11-19-15(14)17(21-16)22-6-8-23-9-7-22/h3-5,10-11H,6-9H2,1-2H3/b5-3-,12-4+
InChIKeyALCCDQZUJVMPMG-BVEFSZSYSA-N
XLogP3.49
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[4-morpholin-4-yl-2-[(3Z)-penta-1,3-dien-2-yl]pyrido[3,2-d]pyrimidin-7-yl]but-3-en-2-imine
CID 87621530
4-(2-chloro-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl)morpholine
CID 168922552
4-[7-chloro-2-[4-(methoxymethoxy)phenyl]pyrido[3,2-d]pyrimidin-4-yl]morpholine
CID 118237190
5-chloro-2-morpholin-4-ylpyridin-3-amine
CID 80503744
4-[7-(bromomethyl)-2-chloropyrido[3,2-d]pyrimidin-4-yl]morpholine
CID 90038229
(2-chloro-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl)methanamine
CID 144572815
4-[6-[4-(5-chloro-3-fluoro-2-pyridinyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]morpholine
CID 165433176
N-[(E)-2-[4-morpholin-4-yl-2-[(3Z)-penta-1,3-dien-2-yl]quinazolin-7-yl]prop-1-enyl]methanimine
CID 87621333
2-(3-methylphenyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidine-7-carbaldehyde
CID 118243122
[2-(3-methylphenyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]methanol
CID 118243130
4-[2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-6-methylpyrimidin-4-yl]morpholine
CID 166601129
5-chloro-3-morpholin-4-ylpyridine-2-carboxamide
CID 166656624

Frequently Asked Questions

What is the IUPAC name of 4-[7-chloro-2-[(2E,4Z)-hexa-2,4-dien-3-yl]pyrido[3,2-d]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[7-chloro-2-[(2E,4Z)-hexa-2,4-dien-3-yl]pyrido[3,2-d]pyrimidin-4-yl]morpholine (CID 137483189) is 4-[7-chloro-2-[(2E,4Z)-hexa-2,4-dien-3-yl]pyrido[3,2-d]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[7-chloro-2-[(2E,4Z)-hexa-2,4-dien-3-yl]pyrido[3,2-d]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[7-chloro-2-[(2E,4Z)-hexa-2,4-dien-3-yl]pyrido[3,2-d]pyrimidin-4-yl]morpholine is C/C=C\C(=C/C)c1nc(N2CCOCC2)c2ncc(Cl)cc2n1.
What is the InChIKey of 4-[7-chloro-2-[(2E,4Z)-hexa-2,4-dien-3-yl]pyrido[3,2-d]pyrimidin-4-yl]morpholine?
The InChIKey is ALCCDQZUJVMPMG-BVEFSZSYSA-N. The full InChI is InChI=1S/C17H19ClN4O/c1-3-5-12(4-2)16-20-14-10-13(18)11-19-15(14)17(21-16)22-6-8-23-9-7-22/h3-5,10-11H,6-9H2,1-2H3/b5-3-,12-4+.
What are the key properties of 4-[7-chloro-2-[(2E,4Z)-hexa-2,4-dien-3-yl]pyrido[3,2-d]pyrimidin-4-yl]morpholine?
4-[7-chloro-2-[(2E,4Z)-hexa-2,4-dien-3-yl]pyrido[3,2-d]pyrimidin-4-yl]morpholine has a molecular weight of 330.82 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-chloro-2-[(2E,4Z)-hexa-2,4-dien-3-yl]pyrido[3,2-d]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 137483189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).