7-(8-chloronaphthalen-1-yl)-2-methoxy-4-(4-propan-2-ylpiperazin-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine

C25H30ClN5O — CID 178000351

IUPAC7-(8-chloronaphthalen-1-yl)-2-methoxy-4-(4-propan-2-ylpiperazin-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
SMILESCOc1nc2c(c(N3CCN(C(C)C)CC3)n1)CCN(c1cccc3cccc(Cl)c13)C2
InChIInChI=1S/C25H30ClN5O/c1-17(2)29-12-14-30(15-13-29)24-19-10-11-31(16-21(19)27-25(28-24)32-3)22-9-5-7-18-6-4-8-20(26)23(18)22/h4-9,17H,10-16H2,1-3H3
InChIKeyDFQQPRNSWXCUGQ-UHFFFAOYSA-N
MW452.00 g/mol
LogP4.38
Rot. Bonds4

About 7-(8-chloronaphthalen-1-yl)-2-methoxy-4-(4-propan-2-ylpiperazin-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine

7-(8-chloronaphthalen-1-yl)-2-methoxy-4-(4-propan-2-ylpiperazin-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine (PubChem CID 178000351) has the molecular formula C25H30ClN5O and a molecular weight of 452.00 g/mol. Its IUPAC name is 7-(8-chloronaphthalen-1-yl)-2-methoxy-4-(4-propan-2-ylpiperazin-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name7-(8-chloronaphthalen-1-yl)-2-methoxy-4-(4-propan-2-ylpiperazin-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
PubChem CID178000351
Molecular FormulaC25H30ClN5O
Molecular Weight452.00 g/mol
Exact Mass451.21
IUPAC Name7-(8-chloronaphthalen-1-yl)-2-methoxy-4-(4-propan-2-ylpiperazin-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
SMILESCOc1nc2c(c(N3CCN(C(C)C)CC3)n1)CCN(c1cccc3cccc(Cl)c13)C2
InChIInChI=1S/C25H30ClN5O/c1-17(2)29-12-14-30(15-13-29)24-19-10-11-31(16-21(19)27-25(28-24)32-3)22-9-5-7-18-6-4-8-20(26)23(18)22/h4-9,17H,10-16H2,1-3H3
InChIKeyDFQQPRNSWXCUGQ-UHFFFAOYSA-N
XLogP4.38
TPSA44.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.00
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 7-(8-chloronaphthalen-1-yl)-2-methoxy-4-(4-propan-2-ylpiperazin-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine with MolForge

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Launch Full Analysis

Related Compounds

7-(8-chloronaphthalen-1-yl)-2,4-dimethoxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 170416265
(E)-1-[4-[7-(8-chloronaphthalen-1-yl)-2-methoxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-4-methoxybut-2-en-1-one
CID 142595046
1-[4-[8-(8-chloronaphthalen-1-yl)-2-methoxy-5,6,7,9-tetrahydropyrimido[4,5-c]azepin-4-yl]piperazin-1-yl]prop-2-en-1-one
CID 146433008
3-[7-(8-chloronaphthalen-1-yl)-2-methoxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-6-(difluoromethyl)-3,8-diazabicyclo[3.2.1]octan-6-ol
CID 163223188
7-(8-chloronaphthalen-1-yl)-4-(3-hydroxysulfanylpiperidin-1-yl)-2-methoxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;1-methylpyrrolidine
CID 164925325
7-(8-chloronaphthalen-1-yl)-2-methoxy-4-[(6S)-6-(methoxymethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 163223416
7-(8-chloronaphthalen-1-yl)-4-(hydroxysulfanylmethyl)-2-methoxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;ethane;methane;1-methylpyrrolidine
CID 164925249
1-[4-[7-(3-chloro-2-methylphenyl)-2-methoxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one
CID 142595030
3-[7-(8-chloronaphthalen-1-yl)-2-methoxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-6-(difluoromethyl)-3,8-diazabicyclo[3.2.1]octan-6-ol;1-methylpyrrolidine
CID 163223187
3-[4-[2-methoxy-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazine-1-carbonyl]cyclopent-2-en-1-one
CID 142595384
(E)-4-[4-[2-methoxy-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-4-oxobut-2-enenitrile
CID 146609471
7-(8-chloronaphthalen-1-yl)-4-(4-ethylpiperazin-1-yl)-2-[(1-methylpyrrolidin-2-yl)methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 178000319

Frequently Asked Questions

What is the IUPAC name of 7-(8-chloronaphthalen-1-yl)-2-methoxy-4-(4-propan-2-ylpiperazin-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The IUPAC name of 7-(8-chloronaphthalen-1-yl)-2-methoxy-4-(4-propan-2-ylpiperazin-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine (CID 178000351) is 7-(8-chloronaphthalen-1-yl)-2-methoxy-4-(4-propan-2-ylpiperazin-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine.
What is the SMILES notation for 7-(8-chloronaphthalen-1-yl)-2-methoxy-4-(4-propan-2-ylpiperazin-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The canonical SMILES for 7-(8-chloronaphthalen-1-yl)-2-methoxy-4-(4-propan-2-ylpiperazin-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine is COc1nc2c(c(N3CCN(C(C)C)CC3)n1)CCN(c1cccc3cccc(Cl)c13)C2.
What is the InChIKey of 7-(8-chloronaphthalen-1-yl)-2-methoxy-4-(4-propan-2-ylpiperazin-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The InChIKey is DFQQPRNSWXCUGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30ClN5O/c1-17(2)29-12-14-30(15-13-29)24-19-10-11-31(16-21(19)27-25(28-24)32-3)22-9-5-7-18-6-4-8-20(26)23(18)22/h4-9,17H,10-16H2,1-3H3.
What are the key properties of 7-(8-chloronaphthalen-1-yl)-2-methoxy-4-(4-propan-2-ylpiperazin-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
7-(8-chloronaphthalen-1-yl)-2-methoxy-4-(4-propan-2-ylpiperazin-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine has a molecular weight of 452.00 g/mol, XLogP of 4.38, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(8-chloronaphthalen-1-yl)-2-methoxy-4-(4-propan-2-ylpiperazin-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine is sourced from PubChem (CID 178000351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).