N-cyclopropyl-N-ethyl-2-[(propan-2-ylamino)methyl]quinolin-4-amine

C18H25N3 — CID 63373958

IUPACN-cyclopropyl-N-ethyl-2-[(propan-2-ylamino)methyl]quinolin-4-amine
SMILESCCN(c1cc(CNC(C)C)nc2ccccc12)C1CC1
InChIInChI=1S/C18H25N3/c1-4-21(15-9-10-15)18-11-14(12-19-13(2)3)20-17-8-6-5-7-16(17)18/h5-8,11,13,15,19H,4,9-10,12H2,1-3H3
InChIKeyNCQLPCPSXZDETD-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.72
Rot. Bonds6

About N-cyclopropyl-N-ethyl-2-[(propan-2-ylamino)methyl]quinolin-4-amine

N-cyclopropyl-N-ethyl-2-[(propan-2-ylamino)methyl]quinolin-4-amine (PubChem CID 63373958) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is N-cyclopropyl-N-ethyl-2-[(propan-2-ylamino)methyl]quinolin-4-amine.

Molecular Properties

Compound NameN-cyclopropyl-N-ethyl-2-[(propan-2-ylamino)methyl]quinolin-4-amine
PubChem CID63373958
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC NameN-cyclopropyl-N-ethyl-2-[(propan-2-ylamino)methyl]quinolin-4-amine
SMILESCCN(c1cc(CNC(C)C)nc2ccccc12)C1CC1
InChIInChI=1S/C18H25N3/c1-4-21(15-9-10-15)18-11-14(12-19-13(2)3)20-17-8-6-5-7-16(17)18/h5-8,11,13,15,19H,4,9-10,12H2,1-3H3
InChIKeyNCQLPCPSXZDETD-UHFFFAOYSA-N
XLogP3.72
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-ethyl-2-[(propan-2-ylamino)methyl]quinolin-4-amine?
The IUPAC name of N-cyclopropyl-N-ethyl-2-[(propan-2-ylamino)methyl]quinolin-4-amine (CID 63373958) is N-cyclopropyl-N-ethyl-2-[(propan-2-ylamino)methyl]quinolin-4-amine.
What is the SMILES notation for N-cyclopropyl-N-ethyl-2-[(propan-2-ylamino)methyl]quinolin-4-amine?
The canonical SMILES for N-cyclopropyl-N-ethyl-2-[(propan-2-ylamino)methyl]quinolin-4-amine is CCN(c1cc(CNC(C)C)nc2ccccc12)C1CC1.
What is the InChIKey of N-cyclopropyl-N-ethyl-2-[(propan-2-ylamino)methyl]quinolin-4-amine?
The InChIKey is NCQLPCPSXZDETD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-4-21(15-9-10-15)18-11-14(12-19-13(2)3)20-17-8-6-5-7-16(17)18/h5-8,11,13,15,19H,4,9-10,12H2,1-3H3.
What are the key properties of N-cyclopropyl-N-ethyl-2-[(propan-2-ylamino)methyl]quinolin-4-amine?
N-cyclopropyl-N-ethyl-2-[(propan-2-ylamino)methyl]quinolin-4-amine has a molecular weight of 283.42 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-ethyl-2-[(propan-2-ylamino)methyl]quinolin-4-amine is sourced from PubChem (CID 63373958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).