(4-aminoquinazolin-7-yl)-(3-ethyl-3-phenylazetidin-1-yl)methanone

C20H20N4O — CID 167882908

IUPAC(4-aminoquinazolin-7-yl)-(3-ethyl-3-phenylazetidin-1-yl)methanone
SMILESCCC1(c2ccccc2)CN(C(=O)c2ccc3c(N)ncnc3c2)C1
InChIInChI=1S/C20H20N4O/c1-2-20(15-6-4-3-5-7-15)11-24(12-20)19(25)14-8-9-16-17(10-14)22-13-23-18(16)21/h3-10,13H,2,11-12H2,1H3,(H2,21,22,23)
InChIKeySGURHOPWOQAVPP-UHFFFAOYSA-N
MW332.41 g/mol
LogP3.02
Rot. Bonds3

About (4-aminoquinazolin-7-yl)-(3-ethyl-3-phenylazetidin-1-yl)methanone

(4-aminoquinazolin-7-yl)-(3-ethyl-3-phenylazetidin-1-yl)methanone (PubChem CID 167882908) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is (4-aminoquinazolin-7-yl)-(3-ethyl-3-phenylazetidin-1-yl)methanone.

Molecular Properties

Compound Name(4-aminoquinazolin-7-yl)-(3-ethyl-3-phenylazetidin-1-yl)methanone
PubChem CID167882908
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC Name(4-aminoquinazolin-7-yl)-(3-ethyl-3-phenylazetidin-1-yl)methanone
SMILESCCC1(c2ccccc2)CN(C(=O)c2ccc3c(N)ncnc3c2)C1
InChIInChI=1S/C20H20N4O/c1-2-20(15-6-4-3-5-7-15)11-24(12-20)19(25)14-8-9-16-17(10-14)22-13-23-18(16)21/h3-10,13H,2,11-12H2,1H3,(H2,21,22,23)
InChIKeySGURHOPWOQAVPP-UHFFFAOYSA-N
XLogP3.02
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-ethyl-3-phenylazetidin-1-yl)-(1-methylbenzimidazol-5-yl)methanone
CID 136547220
(4-aminoquinazolin-7-yl)-[(3S,4S)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]methanone
CID 154746243
(1-methylbenzimidazol-5-yl)-(3-methyl-3-phenylazetidin-1-yl)methanone
CID 136554374
[3,4-bis(4-chlorophenyl)phenyl]-(4-ethyl-4-phenylpiperidin-1-yl)methanone
CID 10128471
(4-aminoquinazolin-7-yl)-[3-(3-bromo-5-hydroxyphenyl)pyrrolidin-1-yl]methanone
CID 166398427
1-[4-[3-(4-aminoquinazolin-7-yl)oxypropyl]piperazin-1-yl]ethanone
CID 141289176
4-amino-N-(1-ethyl-2-methylpiperidin-4-yl)-N-methylquinazoline-7-carboxamide
CID 155952674
1-[(4-aminoquinazolin-7-yl)methyl]-4-(3-chloro-1H-indole-6-carbonyl)piperazine-2-carbaldehyde
CID 174447527
4-amino-N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]quinazoline-7-carboxamide
CID 166243952
[4-(aminomethyl)-4-phenylpiperidin-1-yl]-([1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone
CID 166291641
ethyl 4-chloroquinazoline-7-carboxylate
CID 71743581
2H-benzotriazol-5-yl-(4-quinazolin-4-ylpiperazin-1-yl)methanone
CID 56903524

Frequently Asked Questions

What is the IUPAC name of (4-aminoquinazolin-7-yl)-(3-ethyl-3-phenylazetidin-1-yl)methanone?
The IUPAC name of (4-aminoquinazolin-7-yl)-(3-ethyl-3-phenylazetidin-1-yl)methanone (CID 167882908) is (4-aminoquinazolin-7-yl)-(3-ethyl-3-phenylazetidin-1-yl)methanone.
What is the SMILES notation for (4-aminoquinazolin-7-yl)-(3-ethyl-3-phenylazetidin-1-yl)methanone?
The canonical SMILES for (4-aminoquinazolin-7-yl)-(3-ethyl-3-phenylazetidin-1-yl)methanone is CCC1(c2ccccc2)CN(C(=O)c2ccc3c(N)ncnc3c2)C1.
What is the InChIKey of (4-aminoquinazolin-7-yl)-(3-ethyl-3-phenylazetidin-1-yl)methanone?
The InChIKey is SGURHOPWOQAVPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c1-2-20(15-6-4-3-5-7-15)11-24(12-20)19(25)14-8-9-16-17(10-14)22-13-23-18(16)21/h3-10,13H,2,11-12H2,1H3,(H2,21,22,23).
What are the key properties of (4-aminoquinazolin-7-yl)-(3-ethyl-3-phenylazetidin-1-yl)methanone?
(4-aminoquinazolin-7-yl)-(3-ethyl-3-phenylazetidin-1-yl)methanone has a molecular weight of 332.41 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminoquinazolin-7-yl)-(3-ethyl-3-phenylazetidin-1-yl)methanone is sourced from PubChem (CID 167882908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).