(2S)-4-chloro-2-methyl-1,2-dihydroquinazoline;cyclopropane;ethane

C14H21ClN2 — CID 142165032

IUPAC(2S)-4-chloro-2-methyl-1,2-dihydroquinazoline;cyclopropane;ethane
SMILESC1CC1.CC.C[C@@H]1N=C(Cl)c2ccccc2N1
InChIInChI=1S/C9H9ClN2.C3H6.C2H6/c1-6-11-8-5-3-2-4-7(8)9(10)12-6;1-2-3-1;1-2/h2-6,11H,1H3;1-3H2;1-2H3/t6-;;/m0../s1
InChIKeyGOSHDSNYWVSEMQ-ILKKLZGPSA-N
MW252.79 g/mol
LogP4.64
Rot. Bonds

About (2S)-4-chloro-2-methyl-1,2-dihydroquinazoline;cyclopropane;ethane

(2S)-4-chloro-2-methyl-1,2-dihydroquinazoline;cyclopropane;ethane (PubChem CID 142165032) has the molecular formula C14H21ClN2 and a molecular weight of 252.79 g/mol. Its IUPAC name is (2S)-4-chloro-2-methyl-1,2-dihydroquinazoline;cyclopropane;ethane.

Molecular Properties

Compound Name(2S)-4-chloro-2-methyl-1,2-dihydroquinazoline;cyclopropane;ethane
PubChem CID142165032
Molecular FormulaC14H21ClN2
Molecular Weight252.79 g/mol
Exact Mass252.14
IUPAC Name(2S)-4-chloro-2-methyl-1,2-dihydroquinazoline;cyclopropane;ethane
SMILESC1CC1.CC.C[C@@H]1N=C(Cl)c2ccccc2N1
InChIInChI=1S/C9H9ClN2.C3H6.C2H6/c1-6-11-8-5-3-2-4-7(8)9(10)12-6;1-2-3-1;1-2/h2-6,11H,1H3;1-3H2;1-2H3/t6-;;/m0../s1
InChIKeyGOSHDSNYWVSEMQ-ILKKLZGPSA-N
XLogP4.64
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.79
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-dichloro-1,2-dihydroquinazoline
CID 135995139
2,5-dimethyl-2,3-dihydro-1H-1,4-benzodiazepine
CID 137286690
2-cyclobutyl-1,2-dihydroquinazolin-4-amine
CID 10198117
4-chloro-5-pyridin-3-yl-5,6-dihydrobenzo[c][2,7]naphthyridine
CID 10402159
tert-butyl N-(5-chloro-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl)carbamate
CID 135475626
6-methyl-5,6,6a,7,8,9-hexahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one
CID 72556320
2,3-dihydro-1H-quinolin-4-one;ethane
CID 91530065
1-(4-chloro-11,11a-dihydro-1H-benzo[b][1]benzazepin-6-yl)ethanone
CID 24820259
8-chloro-2-methyl-3,4-dihydro-2H-1,4-benzoxazine
CID 75355763
(2S)-8-chloro-2-methyl-3,4-dihydro-2H-1,4-benzoxazine
CID 94975646
2-methyl-4-piperidin-1-yl-1,2,3,4-tetrahydroquinoline
CID 82275850
[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]methanone
CID 46366284

Frequently Asked Questions

What is the IUPAC name of (2S)-4-chloro-2-methyl-1,2-dihydroquinazoline;cyclopropane;ethane?
The IUPAC name of (2S)-4-chloro-2-methyl-1,2-dihydroquinazoline;cyclopropane;ethane (CID 142165032) is (2S)-4-chloro-2-methyl-1,2-dihydroquinazoline;cyclopropane;ethane.
What is the SMILES notation for (2S)-4-chloro-2-methyl-1,2-dihydroquinazoline;cyclopropane;ethane?
The canonical SMILES for (2S)-4-chloro-2-methyl-1,2-dihydroquinazoline;cyclopropane;ethane is C1CC1.CC.C[C@@H]1N=C(Cl)c2ccccc2N1.
What is the InChIKey of (2S)-4-chloro-2-methyl-1,2-dihydroquinazoline;cyclopropane;ethane?
The InChIKey is GOSHDSNYWVSEMQ-ILKKLZGPSA-N. The full InChI is InChI=1S/C9H9ClN2.C3H6.C2H6/c1-6-11-8-5-3-2-4-7(8)9(10)12-6;1-2-3-1;1-2/h2-6,11H,1H3;1-3H2;1-2H3/t6-;;/m0../s1.
What are the key properties of (2S)-4-chloro-2-methyl-1,2-dihydroquinazoline;cyclopropane;ethane?
(2S)-4-chloro-2-methyl-1,2-dihydroquinazoline;cyclopropane;ethane has a molecular weight of 252.79 g/mol, XLogP of 4.64, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-chloro-2-methyl-1,2-dihydroquinazoline;cyclopropane;ethane is sourced from PubChem (CID 142165032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).