N-(1,1-dioxothiolan-3-yl)-3-(quinazolin-4-ylamino)propanamide

C15H18N4O3S — CID 110436099

IUPACN-(1,1-dioxothiolan-3-yl)-3-(quinazolin-4-ylamino)propanamide
SMILESO=C(CCNc1ncnc2ccccc12)NC1CCS(=O)(=O)C1
InChIInChI=1S/C15H18N4O3S/c20-14(19-11-6-8-23(21,22)9-11)5-7-16-15-12-3-1-2-4-13(12)17-10-18-15/h1-4,10-11H,5-9H2,(H,19,20)(H,16,17,18)
InChIKeyQTWWSFCCTSGIPK-UHFFFAOYSA-N
MW334.40 g/mol
LogP0.74
Rot. Bonds5

About N-(1,1-dioxothiolan-3-yl)-3-(quinazolin-4-ylamino)propanamide

N-(1,1-dioxothiolan-3-yl)-3-(quinazolin-4-ylamino)propanamide (PubChem CID 110436099) has the molecular formula C15H18N4O3S and a molecular weight of 334.40 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-3-(quinazolin-4-ylamino)propanamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-3-(quinazolin-4-ylamino)propanamide
PubChem CID110436099
Molecular FormulaC15H18N4O3S
Molecular Weight334.40 g/mol
Exact Mass334.11
IUPAC NameN-(1,1-dioxothiolan-3-yl)-3-(quinazolin-4-ylamino)propanamide
SMILESO=C(CCNc1ncnc2ccccc12)NC1CCS(=O)(=O)C1
InChIInChI=1S/C15H18N4O3S/c20-14(19-11-6-8-23(21,22)9-11)5-7-16-15-12-3-1-2-4-13(12)17-10-18-15/h1-4,10-11H,5-9H2,(H,19,20)(H,16,17,18)
InChIKeyQTWWSFCCTSGIPK-UHFFFAOYSA-N
XLogP0.74
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,1-dioxothiolan-3-yl)quinazolin-4-amine
CID 20999363
N-(4-hydroxycyclohexyl)-4-(quinazolin-4-ylamino)butanamide
CID 110436172
3-(2-tert-butylanilino)-N-(1,1-dioxothiolan-3-yl)propanamide
CID 109026349
N-(4-hydroxyphenyl)-3-(quinazolin-4-ylamino)propanamide
CID 110437211
N-(1,1-dioxothiolan-3-yl)-3-(1-phenylethylamino)propanamide
CID 109020241
3-(3-bromoanilino)-N-(1,1-dioxothiolan-3-yl)propanamide
CID 109026399
3-(2,3-dichloroanilino)-N-(1,1-dioxothiolan-3-yl)propanamide
CID 109026419
N-(1,1-dioxothiolan-3-yl)-2-[4-(ethylamino)quinazolin-2-yl]sulfanylacetamide
CID 17415616
N-[(3S)-1,1-dioxothiolan-3-yl]-2-phenylacetamide
CID 40569648
1,1-dioxo-N-(2-quinazolin-4-ylsulfanylethyl)thiolan-3-amine
CID 62576998
N-[(3R)-1,1-dioxothiolan-3-yl]-2-naphthalen-1-ylacetamide
CID 27710322
1-pyrrolidin-1-yl-3-(quinazolin-4-ylamino)propan-1-one
CID 47121012

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-3-(quinazolin-4-ylamino)propanamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-3-(quinazolin-4-ylamino)propanamide (CID 110436099) is N-(1,1-dioxothiolan-3-yl)-3-(quinazolin-4-ylamino)propanamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-3-(quinazolin-4-ylamino)propanamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-3-(quinazolin-4-ylamino)propanamide is O=C(CCNc1ncnc2ccccc12)NC1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-3-(quinazolin-4-ylamino)propanamide?
The InChIKey is QTWWSFCCTSGIPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3S/c20-14(19-11-6-8-23(21,22)9-11)5-7-16-15-12-3-1-2-4-13(12)17-10-18-15/h1-4,10-11H,5-9H2,(H,19,20)(H,16,17,18).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-3-(quinazolin-4-ylamino)propanamide?
N-(1,1-dioxothiolan-3-yl)-3-(quinazolin-4-ylamino)propanamide has a molecular weight of 334.40 g/mol, XLogP of 0.74, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-3-(quinazolin-4-ylamino)propanamide is sourced from PubChem (CID 110436099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).