N-[7-(4-hydroxypentan-2-yloxy)quinolin-6-yl]thieno[3,2-d]pyrimidine-7-carboxamide

C21H20N4O3S — CID 58056353

IUPACN-[7-(4-hydroxypentan-2-yloxy)quinolin-6-yl]thieno[3,2-d]pyrimidine-7-carboxamide
SMILESCC(O)CC(C)Oc1cc2ncccc2cc1NC(=O)c1csc2cncnc12
InChIInChI=1S/C21H20N4O3S/c1-12(26)6-13(2)28-18-8-16-14(4-3-5-23-16)7-17(18)25-21(27)15-10-29-19-9-22-11-24-20(15)19/h3-5,7-13,26H,6H2,1-2H3,(H,25,27)
InChIKeyHRNAVIYNHGZRMP-UHFFFAOYSA-N
MW408.48 g/mol
LogP4.03
Rot. Bonds6

About N-[7-(4-hydroxypentan-2-yloxy)quinolin-6-yl]thieno[3,2-d]pyrimidine-7-carboxamide

N-[7-(4-hydroxypentan-2-yloxy)quinolin-6-yl]thieno[3,2-d]pyrimidine-7-carboxamide (PubChem CID 58056353) has the molecular formula C21H20N4O3S and a molecular weight of 408.48 g/mol. Its IUPAC name is N-[7-(4-hydroxypentan-2-yloxy)quinolin-6-yl]thieno[3,2-d]pyrimidine-7-carboxamide.

Molecular Properties

Compound NameN-[7-(4-hydroxypentan-2-yloxy)quinolin-6-yl]thieno[3,2-d]pyrimidine-7-carboxamide
PubChem CID58056353
Molecular FormulaC21H20N4O3S
Molecular Weight408.48 g/mol
Exact Mass408.13
IUPAC NameN-[7-(4-hydroxypentan-2-yloxy)quinolin-6-yl]thieno[3,2-d]pyrimidine-7-carboxamide
SMILESCC(O)CC(C)Oc1cc2ncccc2cc1NC(=O)c1csc2cncnc12
InChIInChI=1S/C21H20N4O3S/c1-12(26)6-13(2)28-18-8-16-14(4-3-5-23-16)7-17(18)25-21(27)15-10-29-19-9-22-11-24-20(15)19/h3-5,7-13,26H,6H2,1-2H3,(H,25,27)
InChIKeyHRNAVIYNHGZRMP-UHFFFAOYSA-N
XLogP4.03
TPSA97.23 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(2-aminoethyl)(methyl)amino]-N-(7-methoxyquinolin-6-yl)thieno[3,2-d]pyrimidine-7-carboxamide
CID 58056092
(2E)-4-(dimethylamino)-N-(4-{[3,6-dioxo-4-(2-thienylmethoxy)cyclohexa-1,4-dien-1-yl]amino}-7-ethoxyquinazolin-6-yl)but-2-enamide
CID 44428895
N-(7-methoxyquinolin-6-yl)thieno[3,2-d]pyrimidine-7-carboxamide
CID 58056356
6-Hydroxymethyl-thieno[3,2-b]pyridine-3-carboxylic acid (7-methoxy-quinolin-6-yl)-amide
CID 56646548
2-(3-aminopropylamino)-N-(7-methoxyquinolin-6-yl)thieno[3,2-d]pyrimidine-7-carboxamide
CID 58056089
2-(cyclopropylamino)-N-(7-methoxyquinolin-6-yl)thieno[3,2-d]pyrimidine-7-carboxamide
CID 58056090
2-(2-aminoethylamino)-N-(7-methoxyquinolin-6-yl)thieno[3,2-d]pyrimidine-7-carboxamide
CID 58056111
2-(2-hydroxyethylamino)-N-(7-methoxyquinolin-6-yl)thieno[3,2-d]pyrimidine-7-carboxamide
CID 58056114
2-[2-hydroxyethyl(methyl)amino]-N-(7-methoxyquinolin-6-yl)thieno[3,2-d]pyrimidine-7-carboxamide
CID 58056119
N-[7-[(1R,3S)-3-hydroxycyclopentyl]oxyquinolin-6-yl]thieno[3,2-d]pyrimidine-7-carboxamide
CID 58056151
N-[7-(4-hydroxycyclohexyl)oxyquinolin-6-yl]thieno[3,2-d]pyrimidine-7-carboxamide
CID 58056160
N-[7-(3-aminopropoxy)quinolin-6-yl]thieno[3,2-d]pyrimidine-7-carboxamide
CID 58056168

Frequently Asked Questions

What is the IUPAC name of N-[7-(4-hydroxypentan-2-yloxy)quinolin-6-yl]thieno[3,2-d]pyrimidine-7-carboxamide?
The IUPAC name of N-[7-(4-hydroxypentan-2-yloxy)quinolin-6-yl]thieno[3,2-d]pyrimidine-7-carboxamide (CID 58056353) is N-[7-(4-hydroxypentan-2-yloxy)quinolin-6-yl]thieno[3,2-d]pyrimidine-7-carboxamide.
What is the SMILES notation for N-[7-(4-hydroxypentan-2-yloxy)quinolin-6-yl]thieno[3,2-d]pyrimidine-7-carboxamide?
The canonical SMILES for N-[7-(4-hydroxypentan-2-yloxy)quinolin-6-yl]thieno[3,2-d]pyrimidine-7-carboxamide is CC(O)CC(C)Oc1cc2ncccc2cc1NC(=O)c1csc2cncnc12.
What is the InChIKey of N-[7-(4-hydroxypentan-2-yloxy)quinolin-6-yl]thieno[3,2-d]pyrimidine-7-carboxamide?
The InChIKey is HRNAVIYNHGZRMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3S/c1-12(26)6-13(2)28-18-8-16-14(4-3-5-23-16)7-17(18)25-21(27)15-10-29-19-9-22-11-24-20(15)19/h3-5,7-13,26H,6H2,1-2H3,(H,25,27).
What are the key properties of N-[7-(4-hydroxypentan-2-yloxy)quinolin-6-yl]thieno[3,2-d]pyrimidine-7-carboxamide?
N-[7-(4-hydroxypentan-2-yloxy)quinolin-6-yl]thieno[3,2-d]pyrimidine-7-carboxamide has a molecular weight of 408.48 g/mol, XLogP of 4.03, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(4-hydroxypentan-2-yloxy)quinolin-6-yl]thieno[3,2-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 58056353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).