1-(3-methylbutyl)-2-[(2-oxo-1H-imidazo[4,5-c]pyridin-3-yl)methyl]quinazolin-4-one;oxolane

C24H29N5O3 — CID 144839420

IUPAC1-(3-methylbutyl)-2-[(2-oxo-1H-imidazo[4,5-c]pyridin-3-yl)methyl]quinazolin-4-one;oxolane
SMILESC1CCOC1.CC(C)CCn1c(Cn2c(=O)[nH]c3ccncc32)nc(=O)c2ccccc21
InChIInChI=1S/C20H21N5O2.C4H8O/c1-13(2)8-10-24-16-6-4-3-5-14(16)19(26)23-18(24)12-25-17-11-21-9-7-15(17)22-20(25)27;1-2-4-5-3-1/h3-7,9,11,13H,8,10,12H2,1-2H3,(H,22,27);1-4H2
InChIKeyADAHUXXYVURPIB-UHFFFAOYSA-N
MW435.53 g/mol
LogP3.33
Rot. Bonds5

About 1-(3-methylbutyl)-2-[(2-oxo-1H-imidazo[4,5-c]pyridin-3-yl)methyl]quinazolin-4-one;oxolane

1-(3-methylbutyl)-2-[(2-oxo-1H-imidazo[4,5-c]pyridin-3-yl)methyl]quinazolin-4-one;oxolane (PubChem CID 144839420) has the molecular formula C24H29N5O3 and a molecular weight of 435.53 g/mol. Its IUPAC name is 1-(3-methylbutyl)-2-[(2-oxo-1H-imidazo[4,5-c]pyridin-3-yl)methyl]quinazolin-4-one;oxolane.

Molecular Properties

Compound Name1-(3-methylbutyl)-2-[(2-oxo-1H-imidazo[4,5-c]pyridin-3-yl)methyl]quinazolin-4-one;oxolane
PubChem CID144839420
Molecular FormulaC24H29N5O3
Molecular Weight435.53 g/mol
Exact Mass435.23
IUPAC Name1-(3-methylbutyl)-2-[(2-oxo-1H-imidazo[4,5-c]pyridin-3-yl)methyl]quinazolin-4-one;oxolane
SMILESC1CCOC1.CC(C)CCn1c(Cn2c(=O)[nH]c3ccncc32)nc(=O)c2ccccc21
InChIInChI=1S/C20H21N5O2.C4H8O/c1-13(2)8-10-24-16-6-4-3-5-14(16)19(26)23-18(24)12-25-17-11-21-9-7-15(17)22-20(25)27;1-2-4-5-3-1/h3-7,9,11,13H,8,10,12H2,1-2H3,(H,22,27);1-4H2
InChIKeyADAHUXXYVURPIB-UHFFFAOYSA-N
XLogP3.33
TPSA94.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbutyl)-2-[(2-oxo-1H-imidazo[4,5-c]pyridin-3-yl)methyl]quinazolin-4-one;oxolane?
The IUPAC name of 1-(3-methylbutyl)-2-[(2-oxo-1H-imidazo[4,5-c]pyridin-3-yl)methyl]quinazolin-4-one;oxolane (CID 144839420) is 1-(3-methylbutyl)-2-[(2-oxo-1H-imidazo[4,5-c]pyridin-3-yl)methyl]quinazolin-4-one;oxolane.
What is the SMILES notation for 1-(3-methylbutyl)-2-[(2-oxo-1H-imidazo[4,5-c]pyridin-3-yl)methyl]quinazolin-4-one;oxolane?
The canonical SMILES for 1-(3-methylbutyl)-2-[(2-oxo-1H-imidazo[4,5-c]pyridin-3-yl)methyl]quinazolin-4-one;oxolane is C1CCOC1.CC(C)CCn1c(Cn2c(=O)[nH]c3ccncc32)nc(=O)c2ccccc21.
What is the InChIKey of 1-(3-methylbutyl)-2-[(2-oxo-1H-imidazo[4,5-c]pyridin-3-yl)methyl]quinazolin-4-one;oxolane?
The InChIKey is ADAHUXXYVURPIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2.C4H8O/c1-13(2)8-10-24-16-6-4-3-5-14(16)19(26)23-18(24)12-25-17-11-21-9-7-15(17)22-20(25)27;1-2-4-5-3-1/h3-7,9,11,13H,8,10,12H2,1-2H3,(H,22,27);1-4H2.
What are the key properties of 1-(3-methylbutyl)-2-[(2-oxo-1H-imidazo[4,5-c]pyridin-3-yl)methyl]quinazolin-4-one;oxolane?
1-(3-methylbutyl)-2-[(2-oxo-1H-imidazo[4,5-c]pyridin-3-yl)methyl]quinazolin-4-one;oxolane has a molecular weight of 435.53 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbutyl)-2-[(2-oxo-1H-imidazo[4,5-c]pyridin-3-yl)methyl]quinazolin-4-one;oxolane is sourced from PubChem (CID 144839420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).