(7-chloro-8-methyl-2-propan-2-ylquinolin-4-yl)methanamine

C14H17ClN2 — CID 82449533

IUPAC(7-chloro-8-methyl-2-propan-2-ylquinolin-4-yl)methanamine
SMILESCc1c(Cl)ccc2c(CN)cc(C(C)C)nc12
InChIInChI=1S/C14H17ClN2/c1-8(2)13-6-10(7-16)11-4-5-12(15)9(3)14(11)17-13/h4-6,8H,7,16H2,1-3H3
InChIKeyFYSVECFJYBAIQI-UHFFFAOYSA-N
MW248.76 g/mol
LogP3.78
Rot. Bonds2

About (7-chloro-8-methyl-2-propan-2-ylquinolin-4-yl)methanamine

(7-chloro-8-methyl-2-propan-2-ylquinolin-4-yl)methanamine (PubChem CID 82449533) has the molecular formula C14H17ClN2 and a molecular weight of 248.76 g/mol. Its IUPAC name is (7-chloro-8-methyl-2-propan-2-ylquinolin-4-yl)methanamine.

Molecular Properties

Compound Name(7-chloro-8-methyl-2-propan-2-ylquinolin-4-yl)methanamine
PubChem CID82449533
Molecular FormulaC14H17ClN2
Molecular Weight248.76 g/mol
Exact Mass248.11
IUPAC Name(7-chloro-8-methyl-2-propan-2-ylquinolin-4-yl)methanamine
SMILESCc1c(Cl)ccc2c(CN)cc(C(C)C)nc12
InChIInChI=1S/C14H17ClN2/c1-8(2)13-6-10(7-16)11-4-5-12(15)9(3)14(11)17-13/h4-6,8H,7,16H2,1-3H3
InChIKeyFYSVECFJYBAIQI-UHFFFAOYSA-N
XLogP3.78
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.76
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(7-chloro-8-methyl-2-propan-2-ylquinolin-4-yl)ethanamine
CID 82449539
(8-methyl-2-propan-2-ylquinolin-4-yl)methanamine
CID 82447883
(7-chloro-2-cyclopropyl-8-methylquinolin-4-yl)methanamine
CID 84632655
(7,8-dichloro-2-propan-2-ylquinolin-4-yl)methanol
CID 82449331
8-bromo-4-(chloromethyl)-2-propan-2-ylquinoline
CID 82449036
N-[(8-chloro-2-propan-2-ylquinolin-4-yl)methyl]propan-2-amine
CID 82448950
4,8-dichloro-6-methyl-2-propan-2-ylquinoline
CID 43668494
(2-chloro-7-methylquinolin-4-yl)methanamine
CID 115024953
4,5-dichloro-8-methyl-2-propan-2-ylquinoline
CID 43668547
7-fluoro-8-methyl-2-propan-2-ylquinolin-4-amine
CID 62196606
7-chloro-2,4,8-trimethylquinoline;ethane
CID 170974379
4-chloro-8-methyl-2-propan-2-ylquinoline
CID 43668842

Frequently Asked Questions

What is the IUPAC name of (7-chloro-8-methyl-2-propan-2-ylquinolin-4-yl)methanamine?
The IUPAC name of (7-chloro-8-methyl-2-propan-2-ylquinolin-4-yl)methanamine (CID 82449533) is (7-chloro-8-methyl-2-propan-2-ylquinolin-4-yl)methanamine.
What is the SMILES notation for (7-chloro-8-methyl-2-propan-2-ylquinolin-4-yl)methanamine?
The canonical SMILES for (7-chloro-8-methyl-2-propan-2-ylquinolin-4-yl)methanamine is Cc1c(Cl)ccc2c(CN)cc(C(C)C)nc12.
What is the InChIKey of (7-chloro-8-methyl-2-propan-2-ylquinolin-4-yl)methanamine?
The InChIKey is FYSVECFJYBAIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2/c1-8(2)13-6-10(7-16)11-4-5-12(15)9(3)14(11)17-13/h4-6,8H,7,16H2,1-3H3.
What are the key properties of (7-chloro-8-methyl-2-propan-2-ylquinolin-4-yl)methanamine?
(7-chloro-8-methyl-2-propan-2-ylquinolin-4-yl)methanamine has a molecular weight of 248.76 g/mol, XLogP of 3.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7-chloro-8-methyl-2-propan-2-ylquinolin-4-yl)methanamine is sourced from PubChem (CID 82449533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).