4-[2-[3-(methoxymethoxy)phenyl]-7-(morpholin-4-ylmethyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine

C24H29N5O4 — CID 118243108

IUPAC4-[2-[3-(methoxymethoxy)phenyl]-7-(morpholin-4-ylmethyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine
SMILESCOCOc1cccc(-c2nc(N3CCOCC3)c3ncc(CN4CCOCC4)cc3n2)c1
InChIInChI=1S/C24H29N5O4/c1-30-17-33-20-4-2-3-19(14-20)23-26-21-13-18(16-28-5-9-31-10-6-28)15-25-22(21)24(27-23)29-7-11-32-12-8-29/h2-4,13-15H,5-12,16-17H2,1H3
InChIKeyQHYYMEVPFRBOFU-UHFFFAOYSA-N
MW451.53 g/mol
LogP2.34
Rot. Bonds7

About 4-[2-[3-(methoxymethoxy)phenyl]-7-(morpholin-4-ylmethyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine

4-[2-[3-(methoxymethoxy)phenyl]-7-(morpholin-4-ylmethyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine (PubChem CID 118243108) has the molecular formula C24H29N5O4 and a molecular weight of 451.53 g/mol. Its IUPAC name is 4-[2-[3-(methoxymethoxy)phenyl]-7-(morpholin-4-ylmethyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[2-[3-(methoxymethoxy)phenyl]-7-(morpholin-4-ylmethyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine
PubChem CID118243108
Molecular FormulaC24H29N5O4
Molecular Weight451.53 g/mol
Exact Mass451.22
IUPAC Name4-[2-[3-(methoxymethoxy)phenyl]-7-(morpholin-4-ylmethyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine
SMILESCOCOc1cccc(-c2nc(N3CCOCC3)c3ncc(CN4CCOCC4)cc3n2)c1
InChIInChI=1S/C24H29N5O4/c1-30-17-33-20-4-2-3-19(14-20)23-26-21-13-18(16-28-5-9-31-10-6-28)15-25-22(21)24(27-23)29-7-11-32-12-8-29/h2-4,13-15H,5-12,16-17H2,1H3
InChIKeyQHYYMEVPFRBOFU-UHFFFAOYSA-N
XLogP2.34
TPSA82.07 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.53
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-[4-(4-Methoxyphenyl)piperazin-1-Yl]-2-(Pyridin-2-Yl)quinazoline
CID 58279815
2-chloro-4-(6-methoxy-3,4-dihydroquinolin-1(2H)-yl)pyrido[3,2-d]pyrimidine
CID 134611709
2-(5-Methoxy-3-pyridinyl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrazine
CID 45488325
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine
CID 2999577
3-(4-Morpholinopyrido[3,2-d]pyrimidin-2-yl)phenol
CID 9879653
N2-(4-(3-(piperidin-1-yl)propoxy)phenyl)-N4-(quinolin-3-yl)pyrimidine-2,4-diamine
CID 10275985
2-Amino-4-(morpholin-4-yl)-6-(3,4-dimethoxyphenyl)pteridine
CID 11176099
6-(3,4-Dimethoxyphenyl)-4-(4-methylpiperidin-1-yl)pteridin-2-amine
CID 11337983
4-Quinazolinamine, N-(6-methoxy-3-pyridinyl)-N,2-dimethyl-
CID 11529244
4-Quinazolinamine, N-(5-methoxy-2-pyridinyl)-N,2-dimethyl-
CID 11666313
m-Anisyl-[2-(3-pyridyl)quinazolin-4-yl]amine
CID 16196718
3-(6-morpholino-9-(1-(pyridin-3-ylmethyl)piperidin-4-yl)-9H-purin-2-yl)phenol
CID 25073081

Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-(methoxymethoxy)phenyl]-7-(morpholin-4-ylmethyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[2-[3-(methoxymethoxy)phenyl]-7-(morpholin-4-ylmethyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine (CID 118243108) is 4-[2-[3-(methoxymethoxy)phenyl]-7-(morpholin-4-ylmethyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[2-[3-(methoxymethoxy)phenyl]-7-(morpholin-4-ylmethyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[2-[3-(methoxymethoxy)phenyl]-7-(morpholin-4-ylmethyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine is COCOc1cccc(-c2nc(N3CCOCC3)c3ncc(CN4CCOCC4)cc3n2)c1.
What is the InChIKey of 4-[2-[3-(methoxymethoxy)phenyl]-7-(morpholin-4-ylmethyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine?
The InChIKey is QHYYMEVPFRBOFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O4/c1-30-17-33-20-4-2-3-19(14-20)23-26-21-13-18(16-28-5-9-31-10-6-28)15-25-22(21)24(27-23)29-7-11-32-12-8-29/h2-4,13-15H,5-12,16-17H2,1H3.
What are the key properties of 4-[2-[3-(methoxymethoxy)phenyl]-7-(morpholin-4-ylmethyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine?
4-[2-[3-(methoxymethoxy)phenyl]-7-(morpholin-4-ylmethyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine has a molecular weight of 451.53 g/mol, XLogP of 2.34, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-(methoxymethoxy)phenyl]-7-(morpholin-4-ylmethyl)pyrido[3,2-d]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 118243108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).