5-(2-butoxynaphthalen-1-yl)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazoline

C25H25N3O — CID 3901500

IUPAC5-(2-butoxynaphthalen-1-yl)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazoline
SMILESCCCCOc1ccc2ccccc2c1C1Nc2ccccc2-c2cc(C)nn21
InChIInChI=1S/C25H25N3O/c1-3-4-15-29-23-14-13-18-9-5-6-10-19(18)24(23)25-26-21-12-8-7-11-20(21)22-16-17(2)27-28(22)25/h5-14,16,25-26H,3-4,15H2,1-2H3
InChIKeyJDJVFNAUQHTFCX-UHFFFAOYSA-N
MW383.50 g/mol
LogP6.16
Rot. Bonds5

About 5-(2-butoxynaphthalen-1-yl)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazoline

5-(2-butoxynaphthalen-1-yl)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazoline (PubChem CID 3901500) has the molecular formula C25H25N3O and a molecular weight of 383.50 g/mol. Its IUPAC name is 5-(2-butoxynaphthalen-1-yl)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazoline.

Molecular Properties

Compound Name5-(2-butoxynaphthalen-1-yl)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazoline
PubChem CID3901500
Molecular FormulaC25H25N3O
Molecular Weight383.50 g/mol
Exact Mass383.20
IUPAC Name5-(2-butoxynaphthalen-1-yl)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazoline
SMILESCCCCOc1ccc2ccccc2c1C1Nc2ccccc2-c2cc(C)nn21
InChIInChI=1S/C25H25N3O/c1-3-4-15-29-23-14-13-18-9-5-6-10-19(18)24(23)25-26-21-12-8-7-11-20(21)22-16-17(2)27-28(22)25/h5-14,16,25-26H,3-4,15H2,1-2H3
InChIKeyJDJVFNAUQHTFCX-UHFFFAOYSA-N
XLogP6.16
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.50
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,9-dimethyl-5-(2-pentoxynaphthalen-1-yl)-5,6-dihydropyrazolo[1,5-c]quinazoline
CID 3376125
2,9-dimethyl-5-(2-propoxynaphthalen-1-yl)-5,6-dihydropyrazolo[1,5-c]quinazoline
CID 5173334
(5S)-2,7-dimethyl-5-(2-phenylmethoxynaphthalen-1-yl)-5,6-dihydropyrazolo[1,5-c]quinazoline
CID 136695696
5-(4-ethoxyphenyl)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazoline
CID 3158655
3-ethyl-2-(2-pentoxynaphthalen-1-yl)-1,2-dihydroquinazolin-4-one
CID 54778434
5-(4-methoxyphenyl)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazoline
CID 3158652
5-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazoline
CID 3589959
2-methoxy-6-[(5R)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]phenol
CID 1095521
N,N-dimethyl-4-[(5S)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]aniline
CID 1095488
(5S)-2-methyl-5-(4-methylsulfanylphenyl)-5,6-dihydropyrazolo[1,5-c]quinazoline
CID 1095526
2-methyl-5-(3-phenoxyphenyl)-5,6-dihydropyrazolo[1,5-c]quinazoline
CID 3420775
2-[2-(2-methoxyethoxy)naphthalen-1-yl]-3-(3-methoxypropyl)-1,2-dihydroquinazolin-4-one
CID 54778473

Frequently Asked Questions

What is the IUPAC name of 5-(2-butoxynaphthalen-1-yl)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazoline?
The IUPAC name of 5-(2-butoxynaphthalen-1-yl)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazoline (CID 3901500) is 5-(2-butoxynaphthalen-1-yl)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazoline.
What is the SMILES notation for 5-(2-butoxynaphthalen-1-yl)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazoline?
The canonical SMILES for 5-(2-butoxynaphthalen-1-yl)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazoline is CCCCOc1ccc2ccccc2c1C1Nc2ccccc2-c2cc(C)nn21.
What is the InChIKey of 5-(2-butoxynaphthalen-1-yl)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazoline?
The InChIKey is JDJVFNAUQHTFCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O/c1-3-4-15-29-23-14-13-18-9-5-6-10-19(18)24(23)25-26-21-12-8-7-11-20(21)22-16-17(2)27-28(22)25/h5-14,16,25-26H,3-4,15H2,1-2H3.
What are the key properties of 5-(2-butoxynaphthalen-1-yl)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazoline?
5-(2-butoxynaphthalen-1-yl)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazoline has a molecular weight of 383.50 g/mol, XLogP of 6.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-butoxynaphthalen-1-yl)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazoline is sourced from PubChem (CID 3901500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).