acetic acid;4-chloro-N-[4-(ethylamino)quinazolin-2-yl]benzamide

C19H19ClN4O3 — CID 142877600

IUPACacetic acid;4-chloro-N-[4-(ethylamino)quinazolin-2-yl]benzamide
SMILESCC(=O)O.CCNc1nc(NC(=O)c2ccc(Cl)cc2)nc2ccccc12
InChIInChI=1S/C17H15ClN4O.C2H4O2/c1-2-19-15-13-5-3-4-6-14(13)20-17(21-15)22-16(23)11-7-9-12(18)10-8-11;1-2(3)4/h3-10H,2H2,1H3,(H2,19,20,21,22,23);1H3,(H,3,4)
InChIKeyKGZVVJYRHDUJQG-UHFFFAOYSA-N
MW386.84 g/mol
LogP4.06
Rot. Bonds4

About acetic acid;4-chloro-N-[4-(ethylamino)quinazolin-2-yl]benzamide

acetic acid;4-chloro-N-[4-(ethylamino)quinazolin-2-yl]benzamide (PubChem CID 142877600) has the molecular formula C19H19ClN4O3 and a molecular weight of 386.84 g/mol. Its IUPAC name is acetic acid;4-chloro-N-[4-(ethylamino)quinazolin-2-yl]benzamide.

Molecular Properties

Compound Nameacetic acid;4-chloro-N-[4-(ethylamino)quinazolin-2-yl]benzamide
PubChem CID142877600
Molecular FormulaC19H19ClN4O3
Molecular Weight386.84 g/mol
Exact Mass386.11
IUPAC Nameacetic acid;4-chloro-N-[4-(ethylamino)quinazolin-2-yl]benzamide
SMILESCC(=O)O.CCNc1nc(NC(=O)c2ccc(Cl)cc2)nc2ccccc12
InChIInChI=1S/C17H15ClN4O.C2H4O2/c1-2-19-15-13-5-3-4-6-14(13)20-17(21-15)22-16(23)11-7-9-12(18)10-8-11;1-2(3)4/h3-10H,2H2,1H3,(H2,19,20,21,22,23);1H3,(H,3,4)
InChIKeyKGZVVJYRHDUJQG-UHFFFAOYSA-N
XLogP4.06
TPSA104.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.84
LogP ≤ 54.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(ethylamino)quinazolin-2-yl]-3,5-dimethoxybenzamide
CID 142877709
2-[(Z)-2-aminoethenyl]-N-[4-(ethylamino)quinazolin-2-yl]benzamide
CID 142877583
methyl 2-[[2-(ethylamino)quinazolin-4-yl]amino]acetate
CID 80777540
4-N-[(4-chlorophenyl)methyl]-2-N-methylquinazoline-2,4-diamine
CID 80750131
methyl 3-[[2-(ethylamino)quinazolin-4-yl]amino]propanoate
CID 80798366
N-[4-(ethylamino)-7-nitrosoquinazolin-2-yl]pyridine-3-carboxamide
CID 142877734
5-[[2-(ethylamino)quinazolin-4-yl]amino]pentanamide
CID 106241710
2-[[2-(ethylamino)quinazolin-4-yl]amino]-N-methylpropanamide
CID 80803173
N-(4-anilinoquinazolin-2-yl)acetamide
CID 69107194
N-ethyl-2-[[2-(methylamino)quinazolin-4-yl]amino]acetamide
CID 80787683
2-[4-(ethylamino)quinazolin-2-yl]-1-phenylbutan-1-one
CID 142877613
2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-N-(2,4,6-trichlorophenyl)acetamide
CID 27098324

Frequently Asked Questions

What is the IUPAC name of acetic acid;4-chloro-N-[4-(ethylamino)quinazolin-2-yl]benzamide?
The IUPAC name of acetic acid;4-chloro-N-[4-(ethylamino)quinazolin-2-yl]benzamide (CID 142877600) is acetic acid;4-chloro-N-[4-(ethylamino)quinazolin-2-yl]benzamide.
What is the SMILES notation for acetic acid;4-chloro-N-[4-(ethylamino)quinazolin-2-yl]benzamide?
The canonical SMILES for acetic acid;4-chloro-N-[4-(ethylamino)quinazolin-2-yl]benzamide is CC(=O)O.CCNc1nc(NC(=O)c2ccc(Cl)cc2)nc2ccccc12.
What is the InChIKey of acetic acid;4-chloro-N-[4-(ethylamino)quinazolin-2-yl]benzamide?
The InChIKey is KGZVVJYRHDUJQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O.C2H4O2/c1-2-19-15-13-5-3-4-6-14(13)20-17(21-15)22-16(23)11-7-9-12(18)10-8-11;1-2(3)4/h3-10H,2H2,1H3,(H2,19,20,21,22,23);1H3,(H,3,4).
What are the key properties of acetic acid;4-chloro-N-[4-(ethylamino)quinazolin-2-yl]benzamide?
acetic acid;4-chloro-N-[4-(ethylamino)quinazolin-2-yl]benzamide has a molecular weight of 386.84 g/mol, XLogP of 4.06, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;4-chloro-N-[4-(ethylamino)quinazolin-2-yl]benzamide is sourced from PubChem (CID 142877600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).