N-[(2-chloro-4-morpholin-4-ylquinazolin-6-yl)methyl]-N,1-dimethylpiperidin-4-amine

C20H28ClN5O — CID 87723528

IUPACN-[(2-chloro-4-morpholin-4-ylquinazolin-6-yl)methyl]-N,1-dimethylpiperidin-4-amine
SMILESCN1CCC(N(C)Cc2ccc3nc(Cl)nc(N4CCOCC4)c3c2)CC1
InChIInChI=1S/C20H28ClN5O/c1-24-7-5-16(6-8-24)25(2)14-15-3-4-18-17(13-15)19(23-20(21)22-18)26-9-11-27-12-10-26/h3-4,13,16H,5-12,14H2,1-2H3
InChIKeyGEAPIYVPDWMMEF-UHFFFAOYSA-N
MW389.93 g/mol
LogP2.65
Rot. Bonds4

About N-[(2-chloro-4-morpholin-4-ylquinazolin-6-yl)methyl]-N,1-dimethylpiperidin-4-amine

N-[(2-chloro-4-morpholin-4-ylquinazolin-6-yl)methyl]-N,1-dimethylpiperidin-4-amine (PubChem CID 87723528) has the molecular formula C20H28ClN5O and a molecular weight of 389.93 g/mol. Its IUPAC name is N-[(2-chloro-4-morpholin-4-ylquinazolin-6-yl)methyl]-N,1-dimethylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(2-chloro-4-morpholin-4-ylquinazolin-6-yl)methyl]-N,1-dimethylpiperidin-4-amine
PubChem CID87723528
Molecular FormulaC20H28ClN5O
Molecular Weight389.93 g/mol
Exact Mass389.20
IUPAC NameN-[(2-chloro-4-morpholin-4-ylquinazolin-6-yl)methyl]-N,1-dimethylpiperidin-4-amine
SMILESCN1CCC(N(C)Cc2ccc3nc(Cl)nc(N4CCOCC4)c3c2)CC1
InChIInChI=1S/C20H28ClN5O/c1-24-7-5-16(6-8-24)25(2)14-15-3-4-18-17(13-15)19(23-20(21)22-18)26-9-11-27-12-10-26/h3-4,13,16H,5-12,14H2,1-2H3
InChIKeyGEAPIYVPDWMMEF-UHFFFAOYSA-N
XLogP2.65
TPSA44.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.93
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4-morpholin-4-ylquinazolin-6-yl)methyl]-N,1-dimethylpiperidin-4-amine?
The IUPAC name of N-[(2-chloro-4-morpholin-4-ylquinazolin-6-yl)methyl]-N,1-dimethylpiperidin-4-amine (CID 87723528) is N-[(2-chloro-4-morpholin-4-ylquinazolin-6-yl)methyl]-N,1-dimethylpiperidin-4-amine.
What is the SMILES notation for N-[(2-chloro-4-morpholin-4-ylquinazolin-6-yl)methyl]-N,1-dimethylpiperidin-4-amine?
The canonical SMILES for N-[(2-chloro-4-morpholin-4-ylquinazolin-6-yl)methyl]-N,1-dimethylpiperidin-4-amine is CN1CCC(N(C)Cc2ccc3nc(Cl)nc(N4CCOCC4)c3c2)CC1.
What is the InChIKey of N-[(2-chloro-4-morpholin-4-ylquinazolin-6-yl)methyl]-N,1-dimethylpiperidin-4-amine?
The InChIKey is GEAPIYVPDWMMEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28ClN5O/c1-24-7-5-16(6-8-24)25(2)14-15-3-4-18-17(13-15)19(23-20(21)22-18)26-9-11-27-12-10-26/h3-4,13,16H,5-12,14H2,1-2H3.
What are the key properties of N-[(2-chloro-4-morpholin-4-ylquinazolin-6-yl)methyl]-N,1-dimethylpiperidin-4-amine?
N-[(2-chloro-4-morpholin-4-ylquinazolin-6-yl)methyl]-N,1-dimethylpiperidin-4-amine has a molecular weight of 389.93 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-4-morpholin-4-ylquinazolin-6-yl)methyl]-N,1-dimethylpiperidin-4-amine is sourced from PubChem (CID 87723528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).