4-(7-chloro-2,4-dioxo-1H-quinazolin-3-yl)-N-(oxolan-2-ylmethyl)butanamide

C17H20ClN3O4 — CID 3243213

IUPAC4-(7-chloro-2,4-dioxo-1H-quinazolin-3-yl)-N-(oxolan-2-ylmethyl)butanamide
SMILESO=C(CCCn1c(=O)[nH]c2cc(Cl)ccc2c1=O)NCC1CCCO1
InChIInChI=1S/C17H20ClN3O4/c18-11-5-6-13-14(9-11)20-17(24)21(16(13)23)7-1-4-15(22)19-10-12-3-2-8-25-12/h5-6,9,12H,1-4,7-8,10H2,(H,19,22)(H,20,24)
InChIKeyJNSHWZVWSXNJOV-UHFFFAOYSA-N
MW365.82 g/mol
LogP1.42
Rot. Bonds6

About 4-(7-chloro-2,4-dioxo-1H-quinazolin-3-yl)-N-(oxolan-2-ylmethyl)butanamide

4-(7-chloro-2,4-dioxo-1H-quinazolin-3-yl)-N-(oxolan-2-ylmethyl)butanamide (PubChem CID 3243213) has the molecular formula C17H20ClN3O4 and a molecular weight of 365.82 g/mol. Its IUPAC name is 4-(7-chloro-2,4-dioxo-1H-quinazolin-3-yl)-N-(oxolan-2-ylmethyl)butanamide.

Molecular Properties

Compound Name4-(7-chloro-2,4-dioxo-1H-quinazolin-3-yl)-N-(oxolan-2-ylmethyl)butanamide
PubChem CID3243213
Molecular FormulaC17H20ClN3O4
Molecular Weight365.82 g/mol
Exact Mass365.11
IUPAC Name4-(7-chloro-2,4-dioxo-1H-quinazolin-3-yl)-N-(oxolan-2-ylmethyl)butanamide
SMILESO=C(CCCn1c(=O)[nH]c2cc(Cl)ccc2c1=O)NCC1CCCO1
InChIInChI=1S/C17H20ClN3O4/c18-11-5-6-13-14(9-11)20-17(24)21(16(13)23)7-1-4-15(22)19-10-12-3-2-8-25-12/h5-6,9,12H,1-4,7-8,10H2,(H,19,22)(H,20,24)
InChIKeyJNSHWZVWSXNJOV-UHFFFAOYSA-N
XLogP1.42
TPSA93.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.82
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-(7-chloro-2,4-dioxo-1H-quinazolin-3-yl)-N-(oxolan-2-ylmethyl)butanamide with MolForge

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Related Compounds

4-(7-chloro-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]butanamide
CID 3237124
4-(7-Chloro-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-YL)-N-cyclooctylbutanamide
CID 6621547
4-(7-chloro-2,4-dioxo-1H-quinazolin-3-yl)-N-cycloheptylbutanamide
CID 9550411
4-[7-chloro-2,4-dioxo-1,4-dihydro-3(2H)-quinazolinyl]-N-[2-(1-cyclohexenyl)ethyl]butanamide
CID 9550820
3-(2-(1-benzylpiperidin-4-yl)ethyl)-7-chloroquinazoline-2,4(1H,3H)-dione
CID 10023740
N-(2-chlorobenzyl)-3-(2-methoxyethyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide
CID 15988093
3-(4-oxo-2-thioxo-1,4-dihydroquinazolin-3(2H)-yl)-N-(tetrahydrofuran-2-ylmethyl)propanamide
CID 3239930
2,4-dioxo-3-(2-oxolanylmethyl)-N-pentyl-1H-quinazoline-7-carboxamide
CID 3241299
3-[1-{2-[(5-chloro-2-methylphenyl)amino]-2-oxoethyl}-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl]-N-(3-methoxypropyl)propanamide
CID 3241470
N-cyclohexyl-2,4-dioxo-3-(tetrahydrofuran-2-ylmethyl)-1,2,3,4-tetrahydroquinazoline-7-carboxamide
CID 3243224
7-chloro-3-(3-morpholin-4-ylpropyl)-2-sulfanylidene-1H-quinazolin-4-one
CID 3449415
4-oxo-N-(oxolan-2-ylmethyl)-3-propyl-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 3501000

Frequently Asked Questions

What is the IUPAC name of 4-(7-chloro-2,4-dioxo-1H-quinazolin-3-yl)-N-(oxolan-2-ylmethyl)butanamide?
The IUPAC name of 4-(7-chloro-2,4-dioxo-1H-quinazolin-3-yl)-N-(oxolan-2-ylmethyl)butanamide (CID 3243213) is 4-(7-chloro-2,4-dioxo-1H-quinazolin-3-yl)-N-(oxolan-2-ylmethyl)butanamide.
What is the SMILES notation for 4-(7-chloro-2,4-dioxo-1H-quinazolin-3-yl)-N-(oxolan-2-ylmethyl)butanamide?
The canonical SMILES for 4-(7-chloro-2,4-dioxo-1H-quinazolin-3-yl)-N-(oxolan-2-ylmethyl)butanamide is O=C(CCCn1c(=O)[nH]c2cc(Cl)ccc2c1=O)NCC1CCCO1.
What is the InChIKey of 4-(7-chloro-2,4-dioxo-1H-quinazolin-3-yl)-N-(oxolan-2-ylmethyl)butanamide?
The InChIKey is JNSHWZVWSXNJOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O4/c18-11-5-6-13-14(9-11)20-17(24)21(16(13)23)7-1-4-15(22)19-10-12-3-2-8-25-12/h5-6,9,12H,1-4,7-8,10H2,(H,19,22)(H,20,24).
What are the key properties of 4-(7-chloro-2,4-dioxo-1H-quinazolin-3-yl)-N-(oxolan-2-ylmethyl)butanamide?
4-(7-chloro-2,4-dioxo-1H-quinazolin-3-yl)-N-(oxolan-2-ylmethyl)butanamide has a molecular weight of 365.82 g/mol, XLogP of 1.42, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-chloro-2,4-dioxo-1H-quinazolin-3-yl)-N-(oxolan-2-ylmethyl)butanamide is sourced from PubChem (CID 3243213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).