N-[4-(diethylamino)quinazolin-7-yl]prop-2-enamide

C15H18N4O — CID 155581978

IUPACN-[4-(diethylamino)quinazolin-7-yl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc2c(N(CC)CC)ncnc2c1
InChIInChI=1S/C15H18N4O/c1-4-14(20)18-11-7-8-12-13(9-11)16-10-17-15(12)19(5-2)6-3/h4,7-10H,1,5-6H2,2-3H3,(H,18,20)
InChIKeyJFNUGDKSAONXPL-UHFFFAOYSA-N
MW270.34 g/mol
LogP2.60
Rot. Bonds5

About N-[4-(diethylamino)quinazolin-7-yl]prop-2-enamide

N-[4-(diethylamino)quinazolin-7-yl]prop-2-enamide (PubChem CID 155581978) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is N-[4-(diethylamino)quinazolin-7-yl]prop-2-enamide.

Molecular Properties

Compound NameN-[4-(diethylamino)quinazolin-7-yl]prop-2-enamide
PubChem CID155581978
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC NameN-[4-(diethylamino)quinazolin-7-yl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc2c(N(CC)CC)ncnc2c1
InChIInChI=1S/C15H18N4O/c1-4-14(20)18-11-7-8-12-13(9-11)16-10-17-15(12)19(5-2)6-3/h4,7-10H,1,5-6H2,2-3H3,(H,18,20)
InChIKeyJFNUGDKSAONXPL-UHFFFAOYSA-N
XLogP2.60
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[4-(4-bromoanilino)quinazolin-6-yl]prop-2-enamide
CID 15159375
N-(3,4-diethoxyphenyl)prop-2-enamide
CID 43616319
4-[ethyl(2-methylbutyl)amino]quinazoline-7-carboxylic acid
CID 79480343
N-(3-bromo-1-methylindazol-6-yl)prop-2-enamide
CID 166431642
N-[2-(4-hydroxyphenyl)benzotriazol-5-yl]prop-2-enamide
CID 57202084
N,N-diethyl-3-(prop-2-enoylamino)benzamide
CID 43616413
N-[1-[6-(tert-butylamino)pyrimidin-4-yl]benzimidazol-5-yl]prop-2-enamide
CID 11348280
N-[3-(benzotriazol-2-yl)-4-hydroxyphenyl]prop-2-enamide
CID 139745783
N-(4-tert-butylquinazolin-7-yl)acetamide
CID 162488327
N-(3H-benzimidazol-5-yl)prop-2-enamide
CID 4318258
N-[4-[ethylsulfonyl(methyl)amino]phenyl]prop-2-enamide
CID 139018728
N-[4-[[3-bromo-4-[2-(dimethylamino)ethoxy]phenyl]methyl]quinazolin-6-yl]prop-2-enamide
CID 44564167

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)quinazolin-7-yl]prop-2-enamide?
The IUPAC name of N-[4-(diethylamino)quinazolin-7-yl]prop-2-enamide (CID 155581978) is N-[4-(diethylamino)quinazolin-7-yl]prop-2-enamide.
What is the SMILES notation for N-[4-(diethylamino)quinazolin-7-yl]prop-2-enamide?
The canonical SMILES for N-[4-(diethylamino)quinazolin-7-yl]prop-2-enamide is C=CC(=O)Nc1ccc2c(N(CC)CC)ncnc2c1.
What is the InChIKey of N-[4-(diethylamino)quinazolin-7-yl]prop-2-enamide?
The InChIKey is JFNUGDKSAONXPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-4-14(20)18-11-7-8-12-13(9-11)16-10-17-15(12)19(5-2)6-3/h4,7-10H,1,5-6H2,2-3H3,(H,18,20).
What are the key properties of N-[4-(diethylamino)quinazolin-7-yl]prop-2-enamide?
N-[4-(diethylamino)quinazolin-7-yl]prop-2-enamide has a molecular weight of 270.34 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)quinazolin-7-yl]prop-2-enamide is sourced from PubChem (CID 155581978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).